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

C17H29N5O — CID 53102122

IUPACN-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C17H29N5O/c1-4-21(5-2)13-10-18-16(23)15-7-11-22(12-8-15)17-19-9-6-14(3)20-17/h6,9,15H,4-5,7-8,10-13H2,1-3H3,(H,18,23)
InChIKeyBYUFYPOUKPEQBC-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.46
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 53102122) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID53102122
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCNC(=O)C1CCN(c2nccc(C)n2)CC1
InChIInChI=1S/C17H29N5O/c1-4-21(5-2)13-10-18-16(23)15-7-11-22(12-8-15)17-19-9-6-14(3)20-17/h6,9,15H,4-5,7-8,10-13H2,1-3H3,(H,18,23)
InChIKeyBYUFYPOUKPEQBC-UHFFFAOYSA-N
XLogP1.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 53102122) is N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is CCN(CC)CCNC(=O)C1CCN(c2nccc(C)n2)CC1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is BYUFYPOUKPEQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-21(5-2)13-10-18-16(23)15-7-11-22(12-8-15)17-19-9-6-14(3)20-17/h6,9,15H,4-5,7-8,10-13H2,1-3H3,(H,18,23).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53102122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).