1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide

C21H30N4O — CID 42510266

IUPAC1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C21H30N4O/c1-3-25-16-19(15-22-25)21(26)23(2)20-12-8-14-24(17-20)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,20H,3,7-8,11-14,17H2,1-2H3/t20-/m0/s1
InChIKeyXUXKNUTWYVQPNR-FQEVSTJZSA-N
MW354.50 g/mol
LogP3.07
Rot. Bonds7

About 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide

1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide (PubChem CID 42510266) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
PubChem CID42510266
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cn1
InChIInChI=1S/C21H30N4O/c1-3-25-16-19(15-22-25)21(26)23(2)20-12-8-14-24(17-20)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,20H,3,7-8,11-14,17H2,1-2H3/t20-/m0/s1
InChIKeyXUXKNUTWYVQPNR-FQEVSTJZSA-N
XLogP3.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
methyl 3-[methyl-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 42245037
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028
N,2-dimethyl-6-oxo-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 95725795
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
CID 42095635
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
1-ethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 56912861
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide
CID 45189074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide (CID 42510266) is 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(C)[C@H]2CCCN(CCCc3ccccc3)C2)cn1.
What is the InChIKey of 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is XUXKNUTWYVQPNR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-25-16-19(15-22-25)21(26)23(2)20-12-8-14-24(17-20)13-7-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,20H,3,7-8,11-14,17H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 42510266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).