N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C23H33N5O — CID 45230347

IUPACN-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCC(N3CCCC(C(=O)NCc4ccccc4)C3)CC2)cn1
InChIInChI=1S/C23H33N5O/c1-26-16-20(15-25-26)17-27-12-9-22(10-13-27)28-11-5-8-21(18-28)23(29)24-14-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29)
InChIKeyQRIBVQSLIBPWDB-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45230347) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45230347
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCC(N3CCCC(C(=O)NCc4ccccc4)C3)CC2)cn1
InChIInChI=1S/C23H33N5O/c1-26-16-20(15-25-26)17-27-12-9-22(10-13-27)28-11-5-8-21(18-28)23(29)24-14-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29)
InChIKeyQRIBVQSLIBPWDB-UHFFFAOYSA-N
XLogP2.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 45230347) is N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is Cn1cc(CN2CCC(N3CCCC(C(=O)NCc4ccccc4)C3)CC2)cn1.
What is the InChIKey of N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is QRIBVQSLIBPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-26-16-20(15-25-26)17-27-12-9-22(10-13-27)28-11-5-8-21(18-28)23(29)24-14-19-6-3-2-4-7-19/h2-4,6-7,15-16,21-22H,5,8-14,17-18H2,1H3,(H,24,29).
What are the key properties of N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45230347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).