N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C17H27N5O2 — CID 72889125

IUPACN-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCC[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H27N5O2/c1-2-4-13-8-21(9-14-7-18-12-19-14)10-15(13)20-16(23)11-22-6-3-5-17(22)24/h7,12-13,15H,2-6,8-11H2,1H3,(H,18,19)(H,20,23)/t13-,15-/m0/s1
InChIKeyQKHLWWHKQIMAGN-ZFWWWQNUSA-N
MW333.44 g/mol
LogP0.75
Rot. Bonds7

About N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 72889125) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID72889125
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCCC[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C17H27N5O2/c1-2-4-13-8-21(9-14-7-18-12-19-14)10-15(13)20-16(23)11-22-6-3-5-17(22)24/h7,12-13,15H,2-6,8-11H2,1H3,(H,18,19)(H,20,23)/t13-,15-/m0/s1
InChIKeyQKHLWWHKQIMAGN-ZFWWWQNUSA-N
XLogP0.75
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641
2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-(2H-triazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133110398
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661
2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154898440
N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 133120470
2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
2-(2-oxopyrrolidin-1-yl)-N-[4-propan-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]acetamide
CID 156605526
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
2-(2-oxopyrrolidin-1-yl)-N-[(3S,4R)-4-propan-2-yl-1-pyridin-4-ylpyrrolidin-3-yl]acetamide
CID 133132152
6-[[(3R,4S)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-4-propylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile;hydrochloride
CID 154898347
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 72889125) is N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is CCC[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is QKHLWWHKQIMAGN-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-4-13-8-21(9-14-7-18-12-19-14)10-15(13)20-16(23)11-22-6-3-5-17(22)24/h7,12-13,15H,2-6,8-11H2,1H3,(H,18,19)(H,20,23)/t13-,15-/m0/s1.
What are the key properties of N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 72889125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).