N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide

C14H28N4O2 — CID 83109256

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCNC(=O)N(C)C)CCCNC1
InChIInChI=1S/C14H28N4O2/c1-4-6-14(7-5-8-15-11-14)12(19)16-9-10-17-13(20)18(2)3/h15H,4-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyJVCKWBMKRCAFKQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.54
Rot. Bonds6

About N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide (PubChem CID 83109256) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
PubChem CID83109256
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCNC(=O)N(C)C)CCCNC1
InChIInChI=1S/C14H28N4O2/c1-4-6-14(7-5-8-15-11-14)12(19)16-9-10-17-13(20)18(2)3/h15H,4-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyJVCKWBMKRCAFKQ-UHFFFAOYSA-N
XLogP0.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.54
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-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(2-ethoxy-2-methylpropyl)-3-propylpiperidine-3-carboxamide
CID 114942373
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
N-(2-imidazol-1-ylethyl)-3-propylpiperidine-3-carboxamide
CID 63135088

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide (CID 83109256) is N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCCNC(=O)N(C)C)CCCNC1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is JVCKWBMKRCAFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-6-14(7-5-8-15-11-14)12(19)16-9-10-17-13(20)18(2)3/h15H,4-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 83109256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).