N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide

C16H26N4O2 — CID 110127432

IUPACN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
SMILESCN(C(=O)CCn1ccnc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C16H26N4O2/c1-18(15(21)6-10-19-11-7-17-12-19)13-4-5-14(16(13)22)20-8-2-3-9-20/h7,11-14,16,22H,2-6,8-10H2,1H3/t13-,14-,16-/m1/s1
InChIKeyALLNUWWLWJNNEN-IIAWOOMASA-N
MW306.41 g/mol
LogP0.72
Rot. Bonds5

About N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide

N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide (PubChem CID 110127432) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
PubChem CID110127432
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
SMILESCN(C(=O)CCn1ccnc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C16H26N4O2/c1-18(15(21)6-10-19-11-7-17-12-19)13-4-5-14(16(13)22)20-8-2-3-9-20/h7,11-14,16,22H,2-6,8-10H2,1H3/t13-,14-,16-/m1/s1
InChIKeyALLNUWWLWJNNEN-IIAWOOMASA-N
XLogP0.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide with MolForge

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Related Compounds

2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
CID 110127449
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 110128017
3-[cyclopropyl(3-imidazol-1-ylpropanoyl)amino]propanoic acid
CID 60846258
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
CID 110128279
3-imidazol-1-yl-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]propanamide
CID 124985299
2-[1-[3-imidazol-1-ylpropanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65243009
ethane;3-imidazol-1-ylpropanoic acid
CID 169203734
2-[ethyl(3-imidazol-1-ylpropanoyl)amino]acetic acid
CID 61021860
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
N-ethyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106626307
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
N-ethyl-3-imidazol-1-yl-N-(piperidin-3-ylmethyl)propanamide
CID 106629654

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide (CID 110127432) is N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide is CN(C(=O)CCn1ccnc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide?
The InChIKey is ALLNUWWLWJNNEN-IIAWOOMASA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(15(21)6-10-19-11-7-17-12-19)13-4-5-14(16(13)22)20-8-2-3-9-20/h7,11-14,16,22H,2-6,8-10H2,1H3/t13-,14-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide?
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 110127432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).