(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide

C20H27N3O2 — CID 95592066

IUPAC(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c24-19(16-6-7-16)22-12-9-18(10-13-22)21-20(25)23-11-8-17(14-23)15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)/t17-/m0/s1
InChIKeyRQMPKUYEDSODQQ-KRWDZBQOSA-N
MW341.45 g/mol
LogP2.59
Rot. Bonds3

About (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide

(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide (PubChem CID 95592066) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
PubChem CID95592066
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C20H27N3O2/c24-19(16-6-7-16)22-12-9-18(10-13-22)21-20(25)23-11-8-17(14-23)15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)/t17-/m0/s1
InChIKeyRQMPKUYEDSODQQ-KRWDZBQOSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-cyanopyrrolidin-3-yl]-3-phenylpyrrolidine-1-carboxamide
CID 122590666
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024709
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide (CID 95592066) is (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide?
The InChIKey is RQMPKUYEDSODQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(16-6-7-16)22-12-9-18(10-13-22)21-20(25)23-11-8-17(14-23)15-4-2-1-3-5-15/h1-5,16-18H,6-14H2,(H,21,25)/t17-/m0/s1.
What are the key properties of (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide?
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95592066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).