N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide

C19H28N4O2 — CID 120731000

IUPACN-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H28N4O2/c1-14(22-18(24)15-6-3-2-4-7-15)19(25)23-11-10-21-13-17(23)16-8-5-9-20-12-16/h5,8-9,12,14-15,17,21H,2-4,6-7,10-11,13H2,1H3,(H,22,24)/t14-,17?/m0/s1
InChIKeyWPWFOOBBHWYDEO-MBIQTGHCSA-N
MW344.46 g/mol
LogP1.64
Rot. Bonds4

About N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide

N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide (PubChem CID 120731000) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
PubChem CID120731000
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
SMILESC[C@H](NC(=O)C1CCCCC1)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H28N4O2/c1-14(22-18(24)15-6-3-2-4-7-15)19(25)23-11-10-21-13-17(23)16-8-5-9-20-12-16/h5,8-9,12,14-15,17,21H,2-4,6-7,10-11,13H2,1H3,(H,22,24)/t14-,17?/m0/s1
InChIKeyWPWFOOBBHWYDEO-MBIQTGHCSA-N
XLogP1.64
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 120801926
N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
CID 120732203
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
2-(2-chlorophenyl)sulfanyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730039
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
CID 120730417

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide (CID 120731000) is N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide is C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide?
The InChIKey is WPWFOOBBHWYDEO-MBIQTGHCSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(22-18(24)15-6-3-2-4-7-15)19(25)23-11-10-21-13-17(23)16-8-5-9-20-12-16/h5,8-9,12,14-15,17,21H,2-4,6-7,10-11,13H2,1H3,(H,22,24)/t14-,17?/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide?
N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 120731000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).