methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate

C19H24N4O3 — CID 97206029

IUPACmethyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H24N4O3/c1-21(18(24)17-10-6-7-11-22(17)19(25)26-2)13-15-12-20-23(14-15)16-8-4-3-5-9-16/h3-5,8-9,12,14,17H,6-7,10-11,13H2,1-2H3/t17-/m0/s1
InChIKeyKJBCDSJXZRMSDK-KRWDZBQOSA-N
MW356.43 g/mol
LogP2.45
Rot. Bonds4

About methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate

methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 97206029) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID97206029
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namemethyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H24N4O3/c1-21(18(24)17-10-6-7-11-22(17)19(25)26-2)13-15-12-20-23(14-15)16-8-4-3-5-9-16/h3-5,8-9,12,14,17H,6-7,10-11,13H2,1-2H3/t17-/m0/s1
InChIKeyKJBCDSJXZRMSDK-KRWDZBQOSA-N
XLogP2.45
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
(3R)-3-N-methyl-1-N-phenyl-3-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8962325
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167961055
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
methyl (2S)-2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97188414
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71935397
(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55590547
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
methyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 91783670

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate (CID 97206029) is methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is KJBCDSJXZRMSDK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21(18(24)17-10-6-7-11-22(17)19(25)26-2)13-15-12-20-23(14-15)16-8-4-3-5-9-16/h3-5,8-9,12,14,17H,6-7,10-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate?
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 97206029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).