N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H31N5O — CID 53102103

IUPACN-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C18H31N5O/c1-4-22(5-2)12-6-10-19-17(24)16-8-13-23(14-9-16)18-20-11-7-15(3)21-18/h7,11,16H,4-6,8-10,12-14H2,1-3H3,(H,19,24)
InChIKeyLLCHTSAEWFJEHQ-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.85
Rot. Bonds8

About N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102103) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102103
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C18H31N5O/c1-4-22(5-2)12-6-10-19-17(24)16-8-13-23(14-9-16)18-20-11-7-15(3)21-18/h7,11,16H,4-6,8-10,12-14H2,1-3H3,(H,19,24)
InChIKeyLLCHTSAEWFJEHQ-UHFFFAOYSA-N
XLogP1.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102103) is N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is LLCHTSAEWFJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-22(5-2)12-6-10-19-17(24)16-8-13-23(14-9-16)18-20-11-7-15(3)21-18/h7,11,16H,4-6,8-10,12-14H2,1-3H3,(H,19,24).
What are the key properties of N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).