1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

C13H25N3O3 — CID 62668727

IUPAC1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(CN)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H25N3O3/c1-10(9-14)13(19)16-6-3-11(4-7-16)12(18)15-5-2-8-17/h10-11,17H,2-9,14H2,1H3,(H,15,18)
InChIKeyMLVBMUISXGLLBO-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.68
Rot. Bonds6

About 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide

1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 62668727) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
PubChem CID62668727
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(CN)C(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C13H25N3O3/c1-10(9-14)13(19)16-6-3-11(4-7-16)12(18)15-5-2-8-17/h10-11,17H,2-9,14H2,1H3,(H,15,18)
InChIKeyMLVBMUISXGLLBO-UHFFFAOYSA-N
XLogP-0.68
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
1-[1-(aminomethyl)cyclopropanecarbonyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 115452950
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
N-[3-(diethylamino)propyl]-1-(2-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 86994380
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-[2-methyl-3-(methylamino)propanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 119720652
N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
CID 103801707
1-(1-aminocyclopentanecarbonyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60954087

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide (CID 62668727) is 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is CC(CN)C(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is MLVBMUISXGLLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(9-14)13(19)16-6-3-11(4-7-16)12(18)15-5-2-8-17/h10-11,17H,2-9,14H2,1H3,(H,15,18).
What are the key properties of 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide?
1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 62668727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).