(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide

C18H26N4O — CID 171359807

IUPAC(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide
SMILESO=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CCCC2(CC2)C1
InChIInChI=1S/C18H26N4O/c23-17(14-2-1-4-18(13-14)5-6-18)21-16-12-15(3-7-20-16)22-10-8-19-9-11-22/h3,7,12,14,19H,1-2,4-6,8-11,13H2,(H,20,21,23)/t14-/m0/s1
InChIKeyOMWMYWDLFMGHAO-AWEZNQCLSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds3

About (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide

(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide (PubChem CID 171359807) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide
PubChem CID171359807
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide
SMILESO=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CCCC2(CC2)C1
InChIInChI=1S/C18H26N4O/c23-17(14-2-1-4-18(13-14)5-6-18)21-16-12-15(3-7-20-16)22-10-8-19-9-11-22/h3,7,12,14,19H,1-2,4-6,8-11,13H2,(H,20,21,23)/t14-/m0/s1
InChIKeyOMWMYWDLFMGHAO-AWEZNQCLSA-N
XLogP2.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-piperazin-1-yl-2-pyridinyl)-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 167943236
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxopiperidine-3-carboxamide
CID 138031647
4-(1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 61402818
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
5-(difluoromethyl)-N-(4-piperazin-1-yl-2-pyridinyl)-1-pyridin-4-ylpyrazole-4-carboxamide
CID 166298631
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
N-(4-bromo-2-pyridinyl)cyclopentanecarboxamide
CID 102674366
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
4-piperidin-1-yl-N-piperidin-3-ylpyridin-2-amine
CID 176995897
cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 69252651
[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
CID 69252851
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133359806

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide?
The IUPAC name of (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide (CID 171359807) is (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide.
What is the SMILES notation for (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide?
The canonical SMILES for (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide is O=C(Nc1cc(N2CCNCC2)ccn1)[C@H]1CCCC2(CC2)C1.
What is the InChIKey of (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide?
The InChIKey is OMWMYWDLFMGHAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O/c23-17(14-2-1-4-18(13-14)5-6-18)21-16-12-15(3-7-20-16)22-10-8-19-9-11-22/h3,7,12,14,19H,1-2,4-6,8-11,13H2,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide?
(7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(4-piperazin-1-yl-2-pyridinyl)spiro[2.5]octane-7-carboxamide is sourced from PubChem (CID 171359807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).