N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide

C13H21N3O3 — CID 112728892

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCC(=O)NC2CC2)CN1
InChIInChI=1S/C13H21N3O3/c17-11-6-3-9(8-15-11)13(19)14-7-1-2-12(18)16-10-4-5-10/h9-10H,1-8H2,(H,14,19)(H,15,17)(H,16,18)
InChIKeyDABVCTLIXVMNHI-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.31
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112728892) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
PubChem CID112728892
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCCC(=O)NC2CC2)CN1
InChIInChI=1S/C13H21N3O3/c17-11-6-3-9(8-15-11)13(19)14-7-1-2-12(18)16-10-4-5-10/h9-10H,1-8H2,(H,14,19)(H,15,17)(H,16,18)
InChIKeyDABVCTLIXVMNHI-UHFFFAOYSA-N
XLogP-0.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.31
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

N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-[4-(cyclopropylamino)-4-oxobutyl]-5-oxopiperazine-2-carboxamide
CID 107437023
N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopentanecarboxamide
CID 62898102
4-(cyclohexylcarbamoylamino)-N-(6-oxopiperidin-3-yl)butanamide
CID 60616890
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746
N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112686353
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide (CID 112728892) is N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)NCCCC(=O)NC2CC2)CN1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DABVCTLIXVMNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c17-11-6-3-9(8-15-11)13(19)14-7-1-2-12(18)16-10-4-5-10/h9-10H,1-8H2,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).