(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide

C20H29N3O2 — CID 95573097

IUPAC(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)C1
InChIInChI=1S/C20H29N3O2/c21-18(24)12-11-15-6-5-13-23(14-15)20(25)22-19(17-9-4-10-17)16-7-2-1-3-8-16/h1-3,7-8,15,17,19H,4-6,9-14H2,(H2,21,24)(H,22,25)/t15-,19+/m1/s1
InChIKeyUSLQPBHORNWTLH-BEFAXECRSA-N
MW343.47 g/mol
LogP3.21
Rot. Bonds6

About (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide

(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide (PubChem CID 95573097) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
PubChem CID95573097
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)C1
InChIInChI=1S/C20H29N3O2/c21-18(24)12-11-15-6-5-13-23(14-15)20(25)22-19(17-9-4-10-17)16-7-2-1-3-8-16/h1-3,7-8,15,17,19H,4-6,9-14H2,(H2,21,24)(H,22,25)/t15-,19+/m1/s1
InChIKeyUSLQPBHORNWTLH-BEFAXECRSA-N
XLogP3.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
3-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119758309
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 97007462
3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119945100
N-(2-cyclobutyl-1-phenylethyl)-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 110012928

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide (CID 95573097) is (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide is NC(=O)CC[C@H]1CCCN(C(=O)N[C@@H](c2ccccc2)C2CCC2)C1.
What is the InChIKey of (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide?
The InChIKey is USLQPBHORNWTLH-BEFAXECRSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-18(24)12-11-15-6-5-13-23(14-15)20(25)22-19(17-9-4-10-17)16-7-2-1-3-8-16/h1-3,7-8,15,17,19H,4-6,9-14H2,(H2,21,24)(H,22,25)/t15-,19+/m1/s1.
What are the key properties of (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide?
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 95573097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).