N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide

C16H29N3O3 — CID 56802503

IUPACN-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(C(=O)N2CCN(CC(C)O)CC2)CCCCC1
InChIInChI=1S/C16H29N3O3/c1-13(20)12-18-8-10-19(11-9-18)15(22)16(17-14(2)21)6-4-3-5-7-16/h13,20H,3-12H2,1-2H3,(H,17,21)
InChIKeyKWQBPXAKBPSYRY-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.35
Rot. Bonds4

About N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide

N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide (PubChem CID 56802503) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide
PubChem CID56802503
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide
SMILESCC(=O)NC1(C(=O)N2CCN(CC(C)O)CC2)CCCCC1
InChIInChI=1S/C16H29N3O3/c1-13(20)12-18-8-10-19(11-9-18)15(22)16(17-14(2)21)6-4-3-5-7-16/h13,20H,3-12H2,1-2H3,(H,17,21)
InChIKeyKWQBPXAKBPSYRY-UHFFFAOYSA-N
XLogP0.35
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95607164
N-[1-[4-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119542778
N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119621740
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-acetamido-N-butan-2-ylcyclohexane-1-carboxamide
CID 47345116
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
1-acetamido-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 47345134

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide (CID 56802503) is N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide is CC(=O)NC1(C(=O)N2CCN(CC(C)O)CC2)CCCCC1.
What is the InChIKey of N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide?
The InChIKey is KWQBPXAKBPSYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-13(20)12-18-8-10-19(11-9-18)15(22)16(17-14(2)21)6-4-3-5-7-16/h13,20H,3-12H2,1-2H3,(H,17,21).
What are the key properties of N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide?
N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxypropyl)piperazine-1-carbonyl]cyclohexyl]acetamide is sourced from PubChem (CID 56802503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).