N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide

C18H26N4O — CID 171335566

IUPACN-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C18H26N4O/c1-21(18(23)14-3-2-4-14)15-7-9-22(10-8-15)17-11-16(13-5-6-13)19-12-20-17/h11-15H,2-10H2,1H3
InChIKeyLKGYZNXTDPEGRA-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide

N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide (PubChem CID 171335566) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
PubChem CID171335566
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C18H26N4O/c1-21(18(23)14-3-2-4-14)15-7-9-22(10-8-15)17-11-16(13-5-6-13)19-12-20-17/h11-15H,2-10H2,1H3
InChIKeyLKGYZNXTDPEGRA-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide (CID 171335566) is N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
The InChIKey is LKGYZNXTDPEGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-21(18(23)14-3-2-4-14)15-7-9-22(10-8-15)17-11-16(13-5-6-13)19-12-20-17/h11-15H,2-10H2,1H3.
What are the key properties of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide?
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 171335566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).