(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide

C22H31N3O2 — CID 51942286

IUPAC(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C22H31N3O2/c26-21(23-15-18-9-5-8-17-7-1-2-11-20(17)18)19-10-6-14-25(16-19)22(27)24-12-3-4-13-24/h1-2,7,11,18-19H,3-6,8-10,12-16H2,(H,23,26)/t18-,19-/m1/s1
InChIKeyLJCQSXVPEJFVFI-RTBURBONSA-N
MW369.51 g/mol
LogP3.15
Rot. Bonds3

About (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide

(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide (PubChem CID 51942286) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
PubChem CID51942286
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide
SMILESO=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C22H31N3O2/c26-21(23-15-18-9-5-8-17-7-1-2-11-20(17)18)19-10-6-14-25(16-19)22(27)24-12-3-4-13-24/h1-2,7,11,18-19H,3-6,8-10,12-16H2,(H,23,26)/t18-,19-/m1/s1
InChIKeyLJCQSXVPEJFVFI-RTBURBONSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]ethyl]piperidine-3-carboxamide
CID 124786781
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 119291466
8-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)bicyclo[3.2.1]octane-3-carboxamide
CID 102560238
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 119174002
1-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-N-[2-(prop-2-enoylamino)ethyl]piperidine-3-carboxamide
CID 154870929
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769502
(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46570501
(3R)-N-(cyclopropylmethyl)-1-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]piperidine-3-carboxamide
CID 124786889

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide (CID 51942286) is (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide is O=C(NC[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide?
The InChIKey is LJCQSXVPEJFVFI-RTBURBONSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21(23-15-18-9-5-8-17-7-1-2-11-20(17)18)19-10-6-14-25(16-19)22(27)24-12-3-4-13-24/h1-2,7,11,18-19H,3-6,8-10,12-16H2,(H,23,26)/t18-,19-/m1/s1.
What are the key properties of (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide?
(3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(pyrrolidine-1-carbonyl)-N-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51942286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).