1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide

C13H23N5O2 — CID 141029353

IUPAC1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCCNC2=NCCN2)CC1
InChIInChI=1S/C13H23N5O2/c14-12(20)10-3-8-18(9-4-10)11(19)2-1-5-15-13-16-6-7-17-13/h10H,1-9H2,(H2,14,20)(H2,15,16,17)
InChIKeyORPSBZQQVOUFCG-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.96
Rot. Bonds5

About 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide

1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide (PubChem CID 141029353) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide
PubChem CID141029353
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCCNC2=NCCN2)CC1
InChIInChI=1S/C13H23N5O2/c14-12(20)10-3-8-18(9-4-10)11(19)2-1-5-15-13-16-6-7-17-13/h10H,1-9H2,(H2,14,20)(H2,15,16,17)
InChIKeyORPSBZQQVOUFCG-UHFFFAOYSA-N
XLogP-0.96
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-ethyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46985220
1-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidine-4-carboxamide
CID 23594197
(4,5-dihydro-1H-imidazol-2-yl)-(piperidine-4-carbonyl)carbamic acid tert-butyl ester
CID 57660945
2-Amino-5-methyl-5-(2-methylpropyl)-3-(piperidin-4-ylmethyl)imidazol-4-one
CID 57844128
4-[2-[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]ethyl]-N-butylpiperidine-1-carboxamide
CID 57844164
4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-N-butylpiperidine-1-carboxamide
CID 57844341
(2S)-2-methyl-3-[[1-[4-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]butanoyl]piperidine-4-carbonyl]amino]propanoic acid
CID 59099475
(2S)-3-[[1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 59099518
2-Amino-5-methyl-5-(2-methylpropyl)-3-(2-piperidin-4-ylethyl)imidazol-4-one
CID 68102601
1-(2-Amino-1,3,8-triazaspiro[4.5]dec-2-en-8-yl)-2-methylpropan-1-one
CID 68413678
1-(2-Amino-1,3,8-triazaspiro[4.5]dec-2-en-8-yl)-4-pyrrolidin-1-ylbutane-1,4-dione
CID 68414579
2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]acetamide
CID 69153566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide (CID 141029353) is 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCCNC2=NCCN2)CC1.
What is the InChIKey of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide?
The InChIKey is ORPSBZQQVOUFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c14-12(20)10-3-8-18(9-4-10)11(19)2-1-5-15-13-16-6-7-17-13/h10H,1-9H2,(H2,14,20)(H2,15,16,17).
What are the key properties of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide?
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 141029353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).