4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide

C25H31N5O — CID 125169678

IUPAC4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N2CCC(N(C)Cc3ccn[nH]3)CC2)cc1)c1ccccc1
InChIInChI=1S/C25H31N5O/c1-19(20-6-4-3-5-7-20)27-25(31)21-8-10-24(11-9-21)30-16-13-23(14-17-30)29(2)18-22-12-15-26-28-22/h3-12,15,19,23H,13-14,16-18H2,1-2H3,(H,26,28)(H,27,31)/t19-/m0/s1
InChIKeyNMUBEIRPCOOSKQ-IBGZPJMESA-N
MW417.56 g/mol
LogP4.00
Rot. Bonds7

About 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide

4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 125169678) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID125169678
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(N2CCC(N(C)Cc3ccn[nH]3)CC2)cc1)c1ccccc1
InChIInChI=1S/C25H31N5O/c1-19(20-6-4-3-5-7-20)27-25(31)21-8-10-24(11-9-21)30-16-13-23(14-17-30)29(2)18-22-12-15-26-28-22/h3-12,15,19,23H,13-14,16-18H2,1-2H3,(H,26,28)(H,27,31)/t19-/m0/s1
InChIKeyNMUBEIRPCOOSKQ-IBGZPJMESA-N
XLogP4.00
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide (CID 125169678) is 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1ccc(N2CCC(N(C)Cc3ccn[nH]3)CC2)cc1)c1ccccc1.
What is the InChIKey of 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is NMUBEIRPCOOSKQ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31N5O/c1-19(20-6-4-3-5-7-20)27-25(31)21-8-10-24(11-9-21)30-16-13-23(14-17-30)29(2)18-22-12-15-26-28-22/h3-12,15,19,23H,13-14,16-18H2,1-2H3,(H,26,28)(H,27,31)/t19-/m0/s1.
What are the key properties of 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide?
4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 417.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(1H-pyrazol-5-ylmethyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 125169678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).