N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide

C16H32N4O — CID 72145120

IUPACN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCC(C)N(CCNC(=O)N1CCCC(C1)N(C)C)C2CC2
InChIInChI=1S/C16H32N4O/c1-13(2)20(14-7-8-14)11-9-17-16(21)19-10-5-6-15(12-19)18(3)4/h13-15H,5-12H2,1-4H3,(H,17,21)
InChIKeyHMRRIOUTHACZGR-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide

N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide (PubChem CID 72145120) has the molecular formula C16H32N4O and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide
PubChem CID72145120
Molecular FormulaC16H32N4O
Molecular Weight296.45 g/mol
Exact Mass296.26
IUPAC NameN-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCC(C)N(CCNC(=O)N1CCCC(C1)N(C)C)C2CC2
InChIInChI=1S/C16H32N4O/c1-13(2)20(14-7-8-14)11-9-17-16(21)19-10-5-6-15(12-19)18(3)4/h13-15H,5-12H2,1-4H3,(H,17,21)
InChIKeyHMRRIOUTHACZGR-UHFFFAOYSA-N
XLogP1.50
TPSA38.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
CID 96937
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
1-Cyclopropyl-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
CID 47038655
N-cyclohexyl-4-ethylpiperazine-1-carboxamide
CID 858169
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
(S)-1-(Piperidin-3-yl)-3-(propan-2-yl)urea hydrochloride
CID 53256927
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
1-(2-Methylcyclopropyl)-3-[1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 72139463
1-Cyclopropyl-3-(1-cyclopropylpiperidin-4-yl)-1-methylurea
CID 84584119
3-[2-[4-(Dimethylamino)piperidin-1-yl]ethyl]-1-ethyl-1-(3-pyrrolidin-1-ylpropyl)urea
CID 119045555
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea
CID 89495119

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide (CID 72145120) is N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide is CC(C)N(CCNC(=O)N1CCCC(C1)N(C)C)C2CC2.
What is the InChIKey of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The InChIKey is HMRRIOUTHACZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)20(14-7-8-14)11-9-17-16(21)19-10-5-6-15(12-19)18(3)4/h13-15H,5-12H2,1-4H3,(H,17,21).
What are the key properties of N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide has a molecular weight of 296.45 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(dimethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 72145120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).