3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide

C17H23N5O — CID 124985299

IUPAC3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
SMILESCN(C(=O)CCn1ccnc1)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H23N5O/c1-20(17(23)7-11-21-12-9-18-14-21)15-5-4-10-22(13-15)16-6-2-3-8-19-16/h2-3,6,8-9,12,14-15H,4-5,7,10-11,13H2,1H3/t15-/m0/s1
InChIKeyNQTUVXPXRYETGE-HNNXBMFYSA-N
MW313.40 g/mol
LogP1.80
Rot. Bonds5

About 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide

3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide (PubChem CID 124985299) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
PubChem CID124985299
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
SMILESCN(C(=O)CCn1ccnc1)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C17H23N5O/c1-20(17(23)7-11-21-12-9-18-14-21)15-5-4-10-22(13-15)16-6-2-3-8-19-16/h2-3,6,8-9,12,14-15H,4-5,7,10-11,13H2,1H3/t15-/m0/s1
InChIKeyNQTUVXPXRYETGE-HNNXBMFYSA-N
XLogP1.80
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylimidazol-1-yl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124939708
N-methyl-3-(2-methylpyrazol-3-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124997513
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124987309
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
(2R)-2-imidazol-1-yl-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)propanamide
CID 95595640

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
The IUPAC name of 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide (CID 124985299) is 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide is CN(C(=O)CCn1ccnc1)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
The InChIKey is NQTUVXPXRYETGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(17(23)7-11-21-12-9-18-14-21)15-5-4-10-22(13-15)16-6-2-3-8-19-16/h2-3,6,8-9,12,14-15H,4-5,7,10-11,13H2,1H3/t15-/m0/s1.
What are the key properties of 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide?
3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide is sourced from PubChem (CID 124985299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).