1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide

C18H23N5O2S — CID 72902640

IUPAC1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide
SMILESCc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H23N5O2S/c1-11-16(12(2)22-21-11)26-15-8-4-3-7-14(15)20-18(25)23-9-5-6-13(10-23)17(19)24/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22)
InChIKeyLARCPQDSCWYKHL-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.91
Rot. Bonds4

About 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide

1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide (PubChem CID 72902640) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide
PubChem CID72902640
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide
SMILESCc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H23N5O2S/c1-11-16(12(2)22-21-11)26-15-8-4-3-7-14(15)20-18(25)23-9-5-6-13(10-23)17(19)24/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22)
InChIKeyLARCPQDSCWYKHL-UHFFFAOYSA-N
XLogP2.91
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-N-(2-cyclopropylsulfanylphenyl)piperidine-1,3-dicarboxamide
CID 172908594
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
CID 129359179
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95709749
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-1-N-(1,3-dimethyl-5-methylsulfanylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 172908536
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3R)-1-N-(5-ethyl-1-phenylpyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 124843438
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide (CID 72902640) is 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide is Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is LARCPQDSCWYKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-11-16(12(2)22-21-11)26-15-8-4-3-7-14(15)20-18(25)23-9-5-6-13(10-23)17(19)24/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H2,19,24)(H,20,25)(H,21,22).
What are the key properties of 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide?
1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 72902640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).