N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C16H26N4O — CID 3223220

IUPACN-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCCC(C)C)CC2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)4-8-17-15(21)14-6-10-20(11-7-14)16-18-9-5-13(3)19-16/h5,9,12,14H,4,6-8,10-11H2,1-3H3,(H,17,21)
InChIKeyXUJAUCMMRANIKE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.16
Rot. Bonds5

About N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223220) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223220
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCCC(C)C)CC2)n1
InChIInChI=1S/C16H26N4O/c1-12(2)4-8-17-15(21)14-6-10-20(11-7-14)16-18-9-5-13(3)19-16/h5,9,12,14H,4,6-8,10-11H2,1-3H3,(H,17,21)
InChIKeyXUJAUCMMRANIKE-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223220) is N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NCCC(C)C)CC2)n1.
What is the InChIKey of N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is XUJAUCMMRANIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)4-8-17-15(21)14-6-10-20(11-7-14)16-18-9-5-13(3)19-16/h5,9,12,14H,4,6-8,10-11H2,1-3H3,(H,17,21).
What are the key properties of N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).