2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride

C18H30Cl2N4O — CID 154898440

IUPAC2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCC1)N[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1C1CC1
InChIInChI=1S/C18H28N4O.2ClH/c23-18(7-13-3-1-2-4-13)21-17-11-22(9-15-8-19-12-20-15)10-16(17)14-5-6-14;;/h8,12-14,16-17H,1-7,9-11H2,(H,19,20)(H,21,23);2*1H/t16-,17+;;/m1../s1
InChIKeyHBUFIRWVTJZERJ-LWPKXAGOSA-N
MW389.37 g/mol
LogP3.16
Rot. Bonds6

About 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride

2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride (PubChem CID 154898440) has the molecular formula C18H30Cl2N4O and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
PubChem CID154898440
Molecular FormulaC18H30Cl2N4O
Molecular Weight389.37 g/mol
Exact Mass388.18
IUPAC Name2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCC1)N[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1C1CC1
InChIInChI=1S/C18H28N4O.2ClH/c23-18(7-13-3-1-2-4-13)21-17-11-22(9-15-8-19-12-20-15)10-16(17)14-5-6-14;;/h8,12-14,16-17H,1-7,9-11H2,(H,19,20)(H,21,23);2*1H/t16-,17+;;/m1../s1
InChIKeyHBUFIRWVTJZERJ-LWPKXAGOSA-N
XLogP3.16
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72889125
2-[(2-cyclobutylacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 107864176
N-[(3S,4R)-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133130563
N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
N-cyclopentyl-2-(1H-imidazol-5-yl)acetamide
CID 110684053
N-cyclopentyl-6-[[1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]methyl]pyridazin-3-amine;formic acid
CID 118747416
N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-3-(methanesulfonamido)propanamide;dihydrochloride
CID 154898051
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
N-[[(3aR,4R,7aS)-2-(1H-imidazol-5-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]methyl]pyridin-4-amine
CID 97403010
(1R,5S)-6-(cyclobutylmethyl)-3-(1H-imidazol-5-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133125694
N-[(3R,4S)-1-(cyclobutylmethyl)-4-cyclopropylpyrrolidin-3-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 154897941
N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
CID 171142033

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The IUPAC name of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride (CID 154898440) is 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCC1)N[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1C1CC1.
What is the InChIKey of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The InChIKey is HBUFIRWVTJZERJ-LWPKXAGOSA-N. The full InChI is InChI=1S/C18H28N4O.2ClH/c23-18(7-13-3-1-2-4-13)21-17-11-22(9-15-8-19-12-20-15)10-16(17)14-5-6-14;;/h8,12-14,16-17H,1-7,9-11H2,(H,19,20)(H,21,23);2*1H/t16-,17+;;/m1../s1.
What are the key properties of 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride has a molecular weight of 389.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(3R,4S)-4-cyclopropyl-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 154898440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).