N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

C17H27N5O3 — CID 72872983

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C17H27N5O3/c1-20(13-15-18-4-5-19-15)17(24)14-2-3-16(23)22(12-14)7-6-21-8-10-25-11-9-21/h4-5,14H,2-3,6-13H2,1H3,(H,18,19)
InChIKeySIILRLBXFILBEK-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.06
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 72872983) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
PubChem CID72872983
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C17H27N5O3/c1-20(13-15-18-4-5-19-15)17(24)14-2-3-16(23)22(12-14)7-6-21-8-10-25-11-9-21/h4-5,14H,2-3,6-13H2,1H3,(H,18,19)
InChIKeySIILRLBXFILBEK-UHFFFAOYSA-N
XLogP-0.06
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
1-(3-ethoxypropanoyl)-3-(1H-imidazol-2-yl)piperidine
CID 70728567
3-(1H-imidazol-2-yl)-1-[(2-methoxyethoxy)acetyl]piperidine
CID 70732754
(4aS*,8aR*)-6-(1H-imidazol-2-ylmethyl)-1-(3-methoxypropyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70740562
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
(3R*,5R*)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72838854
4-{[(3R*,5R*)-5-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}carbonyl)piperidin-3-yl]carbonyl}morpholine
CID 72847573
3-(1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 70735836
3-{2-[4-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}morpholine
CID 70781326
(3S)-1-cycloheptyl-N-(1H-imidazol-2-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 97132906
N-(1H-imidazol-2-ylmethyl)-N-methyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 128000059

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide (CID 72872983) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is SIILRLBXFILBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-20(13-15-18-4-5-19-15)17(24)14-2-3-16(23)22(12-14)7-6-21-8-10-25-11-9-21/h4-5,14H,2-3,6-13H2,1H3,(H,18,19).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72872983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).