4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide

C19H30N4O2 — CID 119700221

IUPAC4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
SMILESNCCCCCCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c20-13-7-2-1-6-10-18(24)21-17-11-14-23(15-12-17)19(25)22-16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15,20H2,(H,21,24)(H,22,25)
InChIKeyHQROHVJLQQHWBH-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.71
Rot. Bonds8

About 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide

4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide (PubChem CID 119700221) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
PubChem CID119700221
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide
SMILESNCCCCCCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c20-13-7-2-1-6-10-18(24)21-17-11-14-23(15-12-17)19(25)22-16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15,20H2,(H,21,24)(H,22,25)
InChIKeyHQROHVJLQQHWBH-UHFFFAOYSA-N
XLogP2.71
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.71
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

4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
7-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]heptanamide
CID 119710944
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
N-phenyl-4-[(2-prop-2-enylsulfanylacetyl)amino]piperidine-1-carboxamide
CID 51088852
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
4-[(2-naphthalen-2-ylacetyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324367
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491

Frequently Asked Questions

What is the IUPAC name of 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide (CID 119700221) is 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide is NCCCCCCC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide?
The InChIKey is HQROHVJLQQHWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c20-13-7-2-1-6-10-18(24)21-17-11-14-23(15-12-17)19(25)22-16-8-4-3-5-9-16/h3-5,8-9,17H,1-2,6-7,10-15,20H2,(H,21,24)(H,22,25).
What are the key properties of 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide?
4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-aminoheptanoylamino)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 119700221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).