N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

C19H24N4O3 — CID 91910006

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCn1nc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)c2ccccc21
InChIInChI=1S/C19H24N4O3/c1-22-16-5-3-2-4-14(16)17(21-22)19(26)23-9-8-13(11-24)15(10-23)20-18(25)12-6-7-12/h2-5,12-13,15,24H,6-11H2,1H3,(H,20,25)/t13-,15-/m1/s1
InChIKeyKZGUDTRDTPYUBA-UKRRQHHQSA-N
MW356.43 g/mol
LogP0.92
Rot. Bonds4

About N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91910006) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91910006
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCn1nc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)c2ccccc21
InChIInChI=1S/C19H24N4O3/c1-22-16-5-3-2-4-14(16)17(21-22)19(26)23-9-8-13(11-24)15(10-23)20-18(25)12-6-7-12/h2-5,12-13,15,24H,6-11H2,1H3,(H,20,25)/t13-,15-/m1/s1
InChIKeyKZGUDTRDTPYUBA-UKRRQHHQSA-N
XLogP0.92
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91920850
(3S,4S)-4-(hydroxymethyl)-N-methyl-1-(1-methylindazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 110203679
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 133122142
N-[1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 156611146
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
4-ethyl-2-methyl-5-[1-(1-methylindazole-3-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56721319
[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 126892556

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (CID 91910006) is N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is Cn1nc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)c2ccccc21.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is KZGUDTRDTPYUBA-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-16-5-3-2-4-14(16)17(21-22)19(26)23-9-8-13(11-24)15(10-23)20-18(25)12-6-7-12/h2-5,12-13,15,24H,6-11H2,1H3,(H,20,25)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91910006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).