[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone

C18H24N6O3 — CID 155876770

IUPAC[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
SMILESCn1ccc(NC2(C(=O)N3CCCC3)CCN(C(=O)c3cocn3)CC2)n1
InChIInChI=1S/C18H24N6O3/c1-22-9-4-15(21-22)20-18(17(26)24-7-2-3-8-24)5-10-23(11-6-18)16(25)14-12-27-13-19-14/h4,9,12-13H,2-3,5-8,10-11H2,1H3,(H,20,21)
InChIKeyNNFVDYQVZXEXFQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.12
Rot. Bonds4

About [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone

[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 155876770) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID155876770
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
SMILESCn1ccc(NC2(C(=O)N3CCCC3)CCN(C(=O)c3cocn3)CC2)n1
InChIInChI=1S/C18H24N6O3/c1-22-9-4-15(21-22)20-18(17(26)24-7-2-3-8-24)5-10-23(11-6-18)16(25)14-12-27-13-19-14/h4,9,12-13H,2-3,5-8,10-11H2,1H3,(H,20,21)
InChIKeyNNFVDYQVZXEXFQ-UHFFFAOYSA-N
XLogP1.12
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-ethylbutyl)-4-[(1-methylpyrazol-3-yl)amino]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155871243
[4-[(1-methylpyrazol-3-yl)amino]-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 155873989
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
4-(3-methoxyanilino)-N-methyl-1-(1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 155878961
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155872749
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878996
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872962
1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 136524276

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone (CID 155876770) is [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone is Cn1ccc(NC2(C(=O)N3CCCC3)CCN(C(=O)c3cocn3)CC2)n1.
What is the InChIKey of [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is NNFVDYQVZXEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-22-9-4-15(21-22)20-18(17(26)24-7-2-3-8-24)5-10-23(11-6-18)16(25)14-12-27-13-19-14/h4,9,12-13H,2-3,5-8,10-11H2,1H3,(H,20,21).
What are the key properties of [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 155876770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).