N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C18H30N4O2 — CID 111507374

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H30N4O2/c1-15(23)11-18(2,3)14-20-17(24)22-9-7-21(8-10-22)13-16-5-4-6-19-12-16/h4-6,12,15,23H,7-11,13-14H2,1-3H3,(H,20,24)
InChIKeyAUMXJSWSYWCBRZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.71
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 111507374) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID111507374
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H30N4O2/c1-15(23)11-18(2,3)14-20-17(24)22-9-7-21(8-10-22)13-16-5-4-6-19-12-16/h4-6,12,15,23H,7-11,13-14H2,1-3H3,(H,20,24)
InChIKeyAUMXJSWSYWCBRZ-UHFFFAOYSA-N
XLogP1.71
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
4-tert-butyl-N-[1-oxo-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 134035755
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124505398
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 111507374) is N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is CC(O)CC(C)(C)CNC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is AUMXJSWSYWCBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15(23)11-18(2,3)14-20-17(24)22-9-7-21(8-10-22)13-16-5-4-6-19-12-16/h4-6,12,15,23H,7-11,13-14H2,1-3H3,(H,20,24).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 111507374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).