1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide

C13H22N4O3 — CID 47127704

IUPAC1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C13H22N4O3/c14-11(18)9-3-7-17(8-4-9)13(20)16-6-5-15-12(19)10-1-2-10/h9-10H,1-8H2,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyMRELZYWFJHCKAM-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.58
Rot. Bonds5

About 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide

1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 47127704) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide
PubChem CID47127704
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCCNC(=O)C2CC2)CC1
InChIInChI=1S/C13H22N4O3/c14-11(18)9-3-7-17(8-4-9)13(20)16-6-5-15-12(19)10-1-2-10/h9-10H,1-8H2,(H2,14,18)(H,15,19)(H,16,20)
InChIKeyMRELZYWFJHCKAM-UHFFFAOYSA-N
XLogP-0.58
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.58
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

1-N-(2-aminoethyl)piperidine-1,4-dicarboxamide
CID 82508838
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686059
1-N-[2-(pyridin-2-ylamino)ethyl]piperidine-1,4-dicarboxamide
CID 71897846
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
N-(2-amino-2-oxoethyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 60668234
4-(N'-hydroxycarbamimidoyl)-N-propylpiperidine-1-carboxamide
CID 77039009
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide (CID 47127704) is 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCCNC(=O)C2CC2)CC1.
What is the InChIKey of 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is MRELZYWFJHCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-11(18)9-3-7-17(8-4-9)13(20)16-6-5-15-12(19)10-1-2-10/h9-10H,1-8H2,(H2,14,18)(H,15,19)(H,16,20).
What are the key properties of 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide?
1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47127704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).