N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide

C22H33N3O4 — CID 126662114

IUPACN-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
SMILESCN1CCC(COc2ccc(C3=CCC(C(=O)NC(CO)CO)CC3)nc2)CC1
InChIInChI=1S/C22H33N3O4/c1-25-10-8-16(9-11-25)15-29-20-6-7-21(23-12-20)17-2-4-18(5-3-17)22(28)24-19(13-26)14-27/h2,6-7,12,16,18-19,26-27H,3-5,8-11,13-15H2,1H3,(H,24,28)
InChIKeyZFUNPMVSGJEZBP-UHFFFAOYSA-N
MW403.52 g/mol
LogP1.46
Rot. Bonds8

About N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide

N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide (PubChem CID 126662114) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
PubChem CID126662114
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
SMILESCN1CCC(COc2ccc(C3=CCC(C(=O)NC(CO)CO)CC3)nc2)CC1
InChIInChI=1S/C22H33N3O4/c1-25-10-8-16(9-11-25)15-29-20-6-7-21(23-12-20)17-2-4-18(5-3-17)22(28)24-19(13-26)14-27/h2,6-7,12,16,18-19,26-27H,3-5,8-11,13-15H2,1H3,(H,24,28)
InChIKeyZFUNPMVSGJEZBP-UHFFFAOYSA-N
XLogP1.46
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[[6-[4-[(1-hydroxy-3-nitrosopropan-2-yl)carbamoyl]cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 126662117
N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
CID 123145547
N-cyclopropyl-4-[2-fluoro-4-[(1-methylpiperidin-4-yl)methoxy]phenyl]cyclohex-3-ene-1-carboxamide
CID 126662048
tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 129104932
4-[4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 129105004
4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 146418217
N-ethyl-4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 123161475
4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]-N-methoxy-N-methylcyclohex-3-ene-1-carboxamide
CID 123194469
tert-butyl 4-[[5-[4-(2,3-dihydroxypropylcarbamoyl)cyclohexen-1-yl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 123411173
tert-butyl 4-[[3-fluoro-4-[4-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 123249189
[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-piperazin-1-ylmethanone
CID 129104890
N-[(2R)-2,3-dihydroxypropyl]-4-[2-fluoro-4-(piperidin-4-ylmethoxy)phenyl]cyclohex-3-ene-1-carboxamide
CID 144954139

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide (CID 126662114) is N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide is CN1CCC(COc2ccc(C3=CCC(C(=O)NC(CO)CO)CC3)nc2)CC1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZFUNPMVSGJEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-25-10-8-16(9-11-25)15-29-20-6-7-21(23-12-20)17-2-4-18(5-3-17)22(28)24-19(13-26)14-27/h2,6-7,12,16,18-19,26-27H,3-5,8-11,13-15H2,1H3,(H,24,28).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-4-[5-[(1-methylpiperidin-4-yl)methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 126662114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).