2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

C21H29N5O — CID 109252740

IUPAC2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H29N5O/c1-25(2)13-10-22-20(27)19-15-23-21(24-16-19)26-11-8-18(9-12-26)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,22,27)
InChIKeyVQQIUMSXOBEITO-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.23
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (PubChem CID 109252740) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
PubChem CID109252740
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C21H29N5O/c1-25(2)13-10-22-20(27)19-15-23-21(24-16-19)26-11-8-18(9-12-26)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,22,27)
InChIKeyVQQIUMSXOBEITO-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247732
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259132
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109264116
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
2-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252753
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
(4-benzylpiperidin-1-yl)-[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]methanone
CID 109253537
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
CID 109229333

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (CID 109252740) is 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is CN(C)CCNC(=O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The InChIKey is VQQIUMSXOBEITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-25(2)13-10-22-20(27)19-15-23-21(24-16-19)26-11-8-18(9-12-26)14-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,22,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).