N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide

C16H22N2O2 — CID 42825230

IUPACN-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C2CNCC2C(=O)NCC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-13-6-4-12(5-7-13)14-9-17-10-15(14)16(19)18-8-11-2-3-11/h4-7,11,14-15,17H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyABORSPRXYFEASB-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.52
Rot. Bonds5

About N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide

N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 42825230) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID42825230
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(C2CNCC2C(=O)NCC2CC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-13-6-4-12(5-7-13)14-9-17-10-15(14)16(19)18-8-11-2-3-11/h4-7,11,14-15,17H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyABORSPRXYFEASB-UHFFFAOYSA-N
XLogP1.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
1-benzoyl-N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825879
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42680496
benzyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 135307059
N-(cyclopropylmethyl)-1-(2-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680256
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
(3R,4S)-N-[2-(4-methoxyphenoxy)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919955
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119464682
(3R,4S)-N-[2-(4-methoxyphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917370
ethyl (3S,4S)-4-(4-methoxyphenyl)piperidine-3-carboxylate
CID 118700652
2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 42825230) is N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(C2CNCC2C(=O)NCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ABORSPRXYFEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-13-6-4-12(5-7-13)14-9-17-10-15(14)16(19)18-8-11-2-3-11/h4-7,11,14-15,17H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42825230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).