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

C21H30N4O2 — CID 126441610

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)CC1
InChIInChI=1S/C21H30N4O2/c1-15-13-17(3)25(23-15)14-16(2)22-21(26)24-11-9-18(10-12-24)19-7-5-6-8-20(19)27-4/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,22,26)/t16-/m1/s1
InChIKeyONFVZWCGBFUBGX-MRXNPFEDSA-N
MW370.50 g/mol
LogP3.49
Rot. Bonds5

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

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 126441610) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID126441610
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1C1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)CC1
InChIInChI=1S/C21H30N4O2/c1-15-13-17(3)25(23-15)14-16(2)22-21(26)24-11-9-18(10-12-24)19-7-5-6-8-20(19)27-4/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,22,26)/t16-/m1/s1
InChIKeyONFVZWCGBFUBGX-MRXNPFEDSA-N
XLogP3.49
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97443408
3-(2,3-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 119067242
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-hydroxy-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 126433394
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
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
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51597569

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide (CID 126441610) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1C1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)CC1.
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ONFVZWCGBFUBGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-13-17(3)25(23-15)14-16(2)22-21(26)24-11-9-18(10-12-24)19-7-5-6-8-20(19)27-4/h5-8,13,16,18H,9-12,14H2,1-4H3,(H,22,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 126441610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).