N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide

C18H29N5O — CID 119532295

IUPACN-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CN1CCN(c2ccccn2)CC1)C1CCNC1
InChIInChI=1S/C18H29N5O/c1-2-9-23(16-6-8-19-14-16)18(24)15-21-10-12-22(13-11-21)17-5-3-4-7-20-17/h3-5,7,16,19H,2,6,8-15H2,1H3
InChIKeyFLHSCMUSOSEACD-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.80
Rot. Bonds6

About N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide

N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide (PubChem CID 119532295) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
PubChem CID119532295
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CN1CCN(c2ccccn2)CC1)C1CCNC1
InChIInChI=1S/C18H29N5O/c1-2-9-23(16-6-8-19-14-16)18(24)15-21-10-12-22(13-11-21)17-5-3-4-7-20-17/h3-5,7,16,19H,2,6,8-15H2,1H3
InChIKeyFLHSCMUSOSEACD-UHFFFAOYSA-N
XLogP0.80
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550223
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 86983807
6-(azepan-1-yl)-N-propyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119530538
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532179
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531551
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78807778
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide (CID 119532295) is N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)CN1CCN(c2ccccn2)CC1)C1CCNC1.
What is the InChIKey of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is FLHSCMUSOSEACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-9-23(16-6-8-19-14-16)18(24)15-21-10-12-22(13-11-21)17-5-3-4-7-20-17/h3-5,7,16,19H,2,6,8-15H2,1H3.
What are the key properties of N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide?
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 331.46 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119532295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).