N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide

C16H17BrN4O — CID 66981335

IUPACN-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ncc(Br)cn1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H17BrN4O/c17-13-10-19-15(20-11-13)21-14(22)16(6-8-18-9-7-16)12-4-2-1-3-5-12/h1-5,10-11,18H,6-9H2,(H,19,20,21,22)
InChIKeyZRVCQTPFGCRXLH-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.50
Rot. Bonds3

About N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide

N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide (PubChem CID 66981335) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide
PubChem CID66981335
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC NameN-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ncc(Br)cn1)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C16H17BrN4O/c17-13-10-19-15(20-11-13)21-14(22)16(6-8-18-9-7-16)12-4-2-1-3-5-12/h1-5,10-11,18H,6-9H2,(H,19,20,21,22)
InChIKeyZRVCQTPFGCRXLH-UHFFFAOYSA-N
XLogP2.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide (CID 66981335) is N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide is O=C(Nc1ncc(Br)cn1)C1(c2ccccc2)CCNCC1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is ZRVCQTPFGCRXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-13-10-19-15(20-11-13)21-14(22)16(6-8-18-9-7-16)12-4-2-1-3-5-12/h1-5,10-11,18H,6-9H2,(H,19,20,21,22).
What are the key properties of N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide?
N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 66981335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).