1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

C25H37N5O — CID 29028022

IUPAC1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1nn(C)cc1CN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H37N5O/c1-20-23(18-28(2)27-20)19-29-14-11-24(12-15-29)30-16-9-22(10-17-30)25(31)26-13-8-21-6-4-3-5-7-21/h3-7,18,22,24H,8-17,19H2,1-2H3,(H,26,31)
InChIKeyKCKWWXOULVMCTJ-UHFFFAOYSA-N
MW423.61 g/mol
LogP2.76
Rot. Bonds7

About 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 29028022) has the molecular formula C25H37N5O and a molecular weight of 423.61 g/mol. Its IUPAC name is 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID29028022
Molecular FormulaC25H37N5O
Molecular Weight423.61 g/mol
Exact Mass423.30
IUPAC Name1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1nn(C)cc1CN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H37N5O/c1-20-23(18-28(2)27-20)19-29-14-11-24(12-15-29)30-16-9-22(10-17-30)25(31)26-13-8-21-6-4-3-5-7-21/h3-7,18,22,24H,8-17,19H2,1-2H3,(H,26,31)
InChIKeyKCKWWXOULVMCTJ-UHFFFAOYSA-N
XLogP2.76
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56745532
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990
N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-[1-(5-methylhex-5-en-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45210433
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 29028022) is 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1nn(C)cc1CN1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is KCKWWXOULVMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O/c1-20-23(18-28(2)27-20)19-29-14-11-24(12-15-29)30-16-9-22(10-17-30)25(31)26-13-8-21-6-4-3-5-7-21/h3-7,18,22,24H,8-17,19H2,1-2H3,(H,26,31).
What are the key properties of 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 423.61 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 29028022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).