5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide

C22H31N3O2 — CID 1063518

IUPAC5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(CCC1CCCC1)Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C22H31N3O2/c26-21(12-7-16-5-1-2-6-16)23-18-10-11-20(25-13-3-4-14-25)19(15-18)22(27)24-17-8-9-17/h10-11,15-17H,1-9,12-14H2,(H,23,26)(H,24,27)
InChIKeyGGIPBONICRYTMB-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.09
Rot. Bonds7

About 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide

5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 1063518) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
PubChem CID1063518
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide
SMILESO=C(CCC1CCCC1)Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C22H31N3O2/c26-21(12-7-16-5-1-2-6-16)23-18-10-11-20(25-13-3-4-14-25)19(15-18)22(27)24-17-8-9-17/h10-11,15-17H,1-9,12-14H2,(H,23,26)(H,24,27)
InChIKeyGGIPBONICRYTMB-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
5-(tert-butylcarbamoylamino)-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 42752999
5-benzamido-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064478
N-[3-(cyclopropylcarbamoyl)-4-pyrrolidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42755975
N-cyclohexyl-2-pyrrolidin-1-yl-5-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 42659847
5-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064488
5-[(4-chlorobenzoyl)amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 1064480
N-cyclopropyl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065604
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]-N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 3950212
5-(3-cyclopentylpropanoylamino)-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 3889047
N-cyclohexyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3302040
N-cyclopropyl-5-(hexanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4236569

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide (CID 1063518) is 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide is O=C(CCC1CCCC1)Nc1ccc(N2CCCC2)c(C(=O)NC2CC2)c1.
What is the InChIKey of 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is GGIPBONICRYTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(12-7-16-5-1-2-6-16)23-18-10-11-20(25-13-3-4-14-25)19(15-18)22(27)24-17-8-9-17/h10-11,15-17H,1-9,12-14H2,(H,23,26)(H,24,27).
What are the key properties of 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide?
5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 369.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropanoylamino)-N-cyclopropyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 1063518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).