N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C21H33N3O3 — CID 120645907

IUPACN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCNCC1
InChIInChI=1S/C21H33N3O3/c1-27-16-21(7-9-22-10-8-21)20(26)23-19-4-2-3-18(13-19)14-24-11-5-17(15-25)6-12-24/h2-4,13,17,22,25H,5-12,14-16H2,1H3,(H,23,26)
InChIKeyKDIDLPPSDYISMY-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.85
Rot. Bonds7

About N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120645907) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120645907
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCNCC1
InChIInChI=1S/C21H33N3O3/c1-27-16-21(7-9-22-10-8-21)20(26)23-19-4-2-3-18(13-19)14-24-11-5-17(15-25)6-12-24/h2-4,13,17,22,25H,5-12,14-16H2,1H3,(H,23,26)
InChIKeyKDIDLPPSDYISMY-UHFFFAOYSA-N
XLogP1.85
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630241
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
4-(methoxymethyl)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120626279

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120645907) is N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCNCC1.
What is the InChIKey of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is KDIDLPPSDYISMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-27-16-21(7-9-22-10-8-21)20(26)23-19-4-2-3-18(13-19)14-24-11-5-17(15-25)6-12-24/h2-4,13,17,22,25H,5-12,14-16H2,1H3,(H,23,26).
What are the key properties of N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120645907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).