N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C15H26N4O2 — CID 110894833

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-12-10-13(2)19(17-12)7-3-6-16-15(21)18-8-4-14(11-20)5-9-18/h10,14,20H,3-9,11H2,1-2H3,(H,16,21)
InChIKeyIVVVTPQZKYKOLJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.30
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110894833) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110894833
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-12-10-13(2)19(17-12)7-3-6-16-15(21)18-8-4-14(11-20)5-9-18/h10,14,20H,3-9,11H2,1-2H3,(H,16,21)
InChIKeyIVVVTPQZKYKOLJ-UHFFFAOYSA-N
XLogP1.30
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262
(3S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126436509
1-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86999451
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 126445664
4-(2,4-dichlorobenzoyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperazine-1-carboxamide
CID 78888150
3-(2,3-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 119067242
4-[2-(diethylamino)-2-oxoethyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 86999458
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710
1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
4-(hydroxymethyl)-N-[3-(tetrazol-1-yl)propyl]piperidine-1-carboxamide
CID 166263013
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737976

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110894833) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(C)n(CCCNC(=O)N2CCC(CO)CC2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is IVVVTPQZKYKOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-10-13(2)19(17-12)7-3-6-16-15(21)18-8-4-14(11-20)5-9-18/h10,14,20H,3-9,11H2,1-2H3,(H,16,21).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110894833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).