N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide

C14H27N3O2 — CID 119291998

IUPACN-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)C1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-17(4-2)13(18)6-5-9-16-14(19)12-7-10-15-11-8-12/h12,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyBESZWUNPJGHNDH-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.75
Rot. Bonds7

About N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide

N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide (PubChem CID 119291998) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
PubChem CID119291998
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)CCCNC(=O)C1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-17(4-2)13(18)6-5-9-16-14(19)12-7-10-15-11-8-12/h12,15H,3-11H2,1-2H3,(H,16,19)
InChIKeyBESZWUNPJGHNDH-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.75
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

N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
2-[4-(cyclopropanecarbonylamino)butanoyl-ethylamino]acetic acid
CID 119206541
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
(3S)-N-[3-(diethylamino)-3-oxopropyl]piperidine-3-carboxamide
CID 81124971
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N',N'-diethyl-N-piperidin-4-ylpentanediamide
CID 119386732
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589491
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide (CID 119291998) is N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide is CCN(CC)C(=O)CCCNC(=O)C1CCNCC1.
What is the InChIKey of N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide?
The InChIKey is BESZWUNPJGHNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-17(4-2)13(18)6-5-9-16-14(19)12-7-10-15-11-8-12/h12,15H,3-11H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide?
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide is sourced from PubChem (CID 119291998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).