4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid

C16H29N3O4 — CID 122021638

IUPAC4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCCCCNC(=O)C1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C16H29N3O4/c1-2-3-4-9-17-15(22)13-7-11-19(12-8-13)16(23)18-10-5-6-14(20)21/h13H,2-12H2,1H3,(H,17,22)(H,18,23)(H,20,21)
InChIKeyWHUBDVLIOGVVJY-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.58
Rot. Bonds9

About 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid

4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid (PubChem CID 122021638) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
PubChem CID122021638
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
SMILESCCCCCNC(=O)C1CCN(C(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C16H29N3O4/c1-2-3-4-9-17-15(22)13-7-11-19(12-8-13)16(23)18-10-5-6-14(20)21/h13H,2-12H2,1H3,(H,17,22)(H,18,23)(H,20,21)
InChIKeyWHUBDVLIOGVVJY-UHFFFAOYSA-N
XLogP1.58
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
6-[(4-ethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 61421416
7-[(4-ethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 61421852
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
7-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]heptanoic acid
CID 106836825
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid (CID 122021638) is 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid is CCCCCNC(=O)C1CCN(C(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
The InChIKey is WHUBDVLIOGVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-2-3-4-9-17-15(22)13-7-11-19(12-8-13)16(23)18-10-5-6-14(20)21/h13H,2-12H2,1H3,(H,17,22)(H,18,23)(H,20,21).
What are the key properties of 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid?
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid has a molecular weight of 327.43 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122021638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).