N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide

C23H29N5O2 — CID 30458417

IUPACN-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccnc2N2CCCC2)CC1)NCc1ccccc1
InChIInChI=1S/C23H29N5O2/c29-21(25-17-19-7-2-1-3-8-19)18-26-13-15-28(16-14-26)23(30)20-9-6-10-24-22(20)27-11-4-5-12-27/h1-3,6-10H,4-5,11-18H2,(H,25,29)
InChIKeyITEVVJQHLBRBES-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.76
Rot. Bonds6

About N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 30458417) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID30458417
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cccnc2N2CCCC2)CC1)NCc1ccccc1
InChIInChI=1S/C23H29N5O2/c29-21(25-17-19-7-2-1-3-8-19)18-26-13-15-28(16-14-26)23(30)20-9-6-10-24-22(20)27-11-4-5-12-27/h1-3,6-10H,4-5,11-18H2,(H,25,29)
InChIKeyITEVVJQHLBRBES-UHFFFAOYSA-N
XLogP1.76
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119946370
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 86992640
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-ethyl-2-[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 46448693
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56802486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide (CID 30458417) is N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccnc2N2CCCC2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ITEVVJQHLBRBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-21(25-17-19-7-2-1-3-8-19)18-26-13-15-28(16-14-26)23(30)20-9-6-10-24-22(20)27-11-4-5-12-27/h1-3,6-10H,4-5,11-18H2,(H,25,29).
What are the key properties of N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30458417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).