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

C19H31N5O — CID 53170497

IUPACN-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H31N5O/c1-2-3-9-20-19(25)16-7-12-24(13-8-16)18-14-17(21-15-22-18)23-10-5-4-6-11-23/h14-16H,2-13H2,1H3,(H,20,25)
InChIKeyAQONZUYCYJNUDY-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.60
Rot. Bonds6

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

N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53170497) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53170497
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H31N5O/c1-2-3-9-20-19(25)16-7-12-24(13-8-16)18-14-17(21-15-22-18)23-10-5-4-6-11-23/h14-16H,2-13H2,1H3,(H,20,25)
InChIKeyAQONZUYCYJNUDY-UHFFFAOYSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53170497) is N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is AQONZUYCYJNUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-3-9-20-19(25)16-7-12-24(13-8-16)18-14-17(21-15-22-18)23-10-5-4-6-11-23/h14-16H,2-13H2,1H3,(H,20,25).
What are the key properties of N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53170497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).