1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide

C11H20N2O3 — CID 43392702

IUPAC1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C11H20N2O3/c1-9(15)13-6-3-10(4-7-13)11(16)12-5-2-8-14/h10,14H,2-8H2,1H3,(H,12,16)
InChIKeyUSJKTCBMZQUGHG-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds4

About 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 43392702) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID43392702
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C11H20N2O3/c1-9(15)13-6-3-10(4-7-13)11(16)12-5-2-8-14/h10,14H,2-8H2,1H3,(H,12,16)
InChIKeyUSJKTCBMZQUGHG-UHFFFAOYSA-N
XLogP-0.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62668727
1-[3-(ethylamino)propanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62835714
methyl 6-[(1-acetylpiperidine-4-carbonyl)amino]hexanoate
CID 43404532
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
(E)-4-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60951820
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 115452950

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 43392702) is 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is USJKTCBMZQUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(15)13-6-3-10(4-7-13)11(16)12-5-2-8-14/h10,14H,2-8H2,1H3,(H,12,16).
What are the key properties of 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 43392702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).