1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C24H35N5O — CID 45179452

IUPAC1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1
InChIInChI=1S/C24H35N5O/c1-2-29-18-21(16-26-29)15-25-24(30)22-9-6-12-28(19-22)23-10-13-27(14-11-23)17-20-7-4-3-5-8-20/h3-5,7-8,16,18,22-23H,2,6,9-15,17,19H2,1H3,(H,25,30)
InChIKeyFILXFYYEKCCXRN-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.90
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide

1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 45179452) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID45179452
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC Name1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1
InChIInChI=1S/C24H35N5O/c1-2-29-18-21(16-26-29)15-25-24(30)22-9-6-12-28(19-22)23-10-13-27(14-11-23)17-20-7-4-3-5-8-20/h3-5,7-8,16,18,22-23H,2,6,9-15,17,19H2,1H3,(H,25,30)
InChIKeyFILXFYYEKCCXRN-UHFFFAOYSA-N
XLogP2.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 45179452) is 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCCN(C3CCN(Cc4ccccc4)CC3)C2)cn1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is FILXFYYEKCCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-2-29-18-21(16-26-29)15-25-24(30)22-9-6-12-28(19-22)23-10-13-27(14-11-23)17-20-7-4-3-5-8-20/h3-5,7-8,16,18,22-23H,2,6,9-15,17,19H2,1H3,(H,25,30).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45179452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).