N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide

C21H30N4O2 — CID 70757967

IUPACN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
SMILESCc1ccc(OC2(C(=O)NC(C)Cn3nc(C)cc3C)CCNCC2)cc1
InChIInChI=1S/C21H30N4O2/c1-15-5-7-19(8-6-15)27-21(9-11-22-12-10-21)20(26)23-17(3)14-25-18(4)13-16(2)24-25/h5-8,13,17,22H,9-12,14H2,1-4H3,(H,23,26)
InChIKeyQOWWNTACUUIGHV-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.51
Rot. Bonds6

About N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide (PubChem CID 70757967) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
PubChem CID70757967
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
SMILESCc1ccc(OC2(C(=O)NC(C)Cn3nc(C)cc3C)CCNCC2)cc1
InChIInChI=1S/C21H30N4O2/c1-15-5-7-19(8-6-15)27-21(9-11-22-12-10-21)20(26)23-17(3)14-25-18(4)13-16(2)24-25/h5-8,13,17,22H,9-12,14H2,1-4H3,(H,23,26)
InChIKeyQOWWNTACUUIGHV-UHFFFAOYSA-N
XLogP2.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide
CID 50972805
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60546577
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154897322
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 154897274
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 126433394
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 119742824
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide (CID 70757967) is N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide is Cc1ccc(OC2(C(=O)NC(C)Cn3nc(C)cc3C)CCNCC2)cc1.
What is the InChIKey of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
The InChIKey is QOWWNTACUUIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-5-7-19(8-6-15)27-21(9-11-22-12-10-21)20(26)23-17(3)14-25-18(4)13-16(2)24-25/h5-8,13,17,22H,9-12,14H2,1-4H3,(H,23,26).
What are the key properties of N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide?
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide is sourced from PubChem (CID 70757967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).