(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C24H29N3O3 — CID 52500753

IUPAC(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c25-23(28)22-7-4-14-27(22)20-12-15-26(16-13-20)24(29)19-8-10-21(11-9-19)30-17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H2,25,28)/t22-/m1/s1
InChIKeyDRJGHVYWSSFLLY-JOCHJYFZSA-N
MW407.51 g/mol
LogP2.82
Rot. Bonds6

About (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 52500753) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID52500753
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O3/c25-23(28)22-7-4-14-27(22)20-12-15-26(16-13-20)24(29)19-8-10-21(11-9-19)30-17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H2,25,28)/t22-/m1/s1
InChIKeyDRJGHVYWSSFLLY-JOCHJYFZSA-N
XLogP2.82
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-ethylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101239
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
1-[1-[4-(3-chlorophenoxy)benzoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882609
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
1-[1-(2-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 51101219
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282
[4-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 99983791
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 52500753) is (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is DRJGHVYWSSFLLY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O3/c25-23(28)22-7-4-14-27(22)20-12-15-26(16-13-20)24(29)19-8-10-21(11-9-19)30-17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H2,25,28)/t22-/m1/s1.
What are the key properties of (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 52500753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).