(3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide

C30H37N3O2 — CID 56856735

IUPAC(3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C30H37N3O2/c1-35-29-11-5-4-10-27(29)18-31-30(34)28-17-24(20-32-14-6-7-15-32)21-33(22-28)19-23-12-13-25-8-2-3-9-26(25)16-23/h2-5,8-13,16,24,28H,6-7,14-15,17-22H2,1H3,(H,31,34)/t24-,28-/m1/s1
InChIKeyCKONVRZFLKZUEK-UFHPHHKVSA-N
MW471.65 g/mol
LogP4.70
Rot. Bonds8

About (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide

(3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide (PubChem CID 56856735) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
PubChem CID56856735
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Name(3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C30H37N3O2/c1-35-29-11-5-4-10-27(29)18-31-30(34)28-17-24(20-32-14-6-7-15-32)21-33(22-28)19-23-12-13-25-8-2-3-9-26(25)16-23/h2-5,8-13,16,24,28H,6-7,14-15,17-22H2,1H3,(H,31,34)/t24-,28-/m1/s1
InChIKeyCKONVRZFLKZUEK-UFHPHHKVSA-N
XLogP4.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 131942805
(3R,5S)-N-[(4-methoxyphenyl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56857897
(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56859162
(3R,5R)-N-(2-hydroxyethyl)-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854386
(3R,5R)-N-butyl-1-[(3,4-dimethoxyphenyl)methyl]-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56858639
N-[(2-methoxyphenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43921128
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
(3R,5S)-5-(morpholin-4-ylmethyl)-1-(naphthalen-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 56853617
(3R,5S)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenoxy)methyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56853484
(3R,5R)-1-benzyl-N-cyclopropyl-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide
CID 56854204
(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(naphthalen-2-ylmethyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 56854833
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide (CID 56856735) is (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1C[C@H](CN2CCCC2)CN(Cc2ccc3ccccc3c2)C1.
What is the InChIKey of (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CKONVRZFLKZUEK-UFHPHHKVSA-N. The full InChI is InChI=1S/C30H37N3O2/c1-35-29-11-5-4-10-27(29)18-31-30(34)28-17-24(20-32-14-6-7-15-32)21-33(22-28)19-23-12-13-25-8-2-3-9-26(25)16-23/h2-5,8-13,16,24,28H,6-7,14-15,17-22H2,1H3,(H,31,34)/t24-,28-/m1/s1.
What are the key properties of (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide?
(3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-[(2-methoxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56856735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).