N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C20H33N5O — CID 53170494

IUPACN-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C20H33N5O/c1-16(2)6-9-21-20(26)17-7-12-25(13-8-17)19-14-18(22-15-23-19)24-10-4-3-5-11-24/h14-17H,3-13H2,1-2H3,(H,21,26)
InChIKeyKAHTYGSQVYZKMQ-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.85
Rot. Bonds6

About N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53170494) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53170494
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C20H33N5O/c1-16(2)6-9-21-20(26)17-7-12-25(13-8-17)19-14-18(22-15-23-19)24-10-4-3-5-11-24/h14-17H,3-13H2,1-2H3,(H,21,26)
InChIKeyKAHTYGSQVYZKMQ-UHFFFAOYSA-N
XLogP2.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53170494) is N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KAHTYGSQVYZKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-16(2)6-9-21-20(26)17-7-12-25(13-8-17)19-14-18(22-15-23-19)24-10-4-3-5-11-24/h14-17H,3-13H2,1-2H3,(H,21,26).
What are the key properties of N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53170494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).