N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

C18H28N4O — CID 97335420

IUPACN-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccnc([C@H](NC(=O)C2CCN(C(C)C)CC2)C2CC2)n1
InChIInChI=1S/C18H28N4O/c1-12(2)22-10-7-15(8-11-22)18(23)21-16(14-4-5-14)17-19-9-6-13(3)20-17/h6,9,12,14-16H,4-5,7-8,10-11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyUNKTUENGRTVIPF-MRXNPFEDSA-N
MW316.45 g/mol
LogP2.47
Rot. Bonds5

About N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 97335420) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID97335420
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1ccnc([C@H](NC(=O)C2CCN(C(C)C)CC2)C2CC2)n1
InChIInChI=1S/C18H28N4O/c1-12(2)22-10-7-15(8-11-22)18(23)21-16(14-4-5-14)17-19-9-6-13(3)20-17/h6,9,12,14-16H,4-5,7-8,10-11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyUNKTUENGRTVIPF-MRXNPFEDSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 97335420) is N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1ccnc([C@H](NC(=O)C2CCN(C(C)C)CC2)C2CC2)n1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is UNKTUENGRTVIPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O/c1-12(2)22-10-7-15(8-11-22)18(23)21-16(14-4-5-14)17-19-9-6-13(3)20-17/h6,9,12,14-16H,4-5,7-8,10-11H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methylpyrimidin-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 97335420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).