(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide

C20H26N4O2 — CID 100815599

IUPAC(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1ccc2c(cnn2CCC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-14-4-7-18-16(11-14)12-21-24(18)10-8-19(25)23-9-2-3-15(13-23)20(26)22-17-5-6-17/h4,7,11-12,15,17H,2-3,5-6,8-10,13H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyDXBZPDLARHILQS-HNNXBMFYSA-N
MW354.45 g/mol
LogP2.25
Rot. Bonds5

About (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 100815599) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide
PubChem CID100815599
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide
SMILESCc1ccc2c(cnn2CCC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-14-4-7-18-16(11-14)12-21-24(18)10-8-19(25)23-9-2-3-15(13-23)20(26)22-17-5-6-17/h4,7,11-12,15,17H,2-3,5-6,8-10,13H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyDXBZPDLARHILQS-HNNXBMFYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
1-(2,6-dimethylmorpholin-4-yl)-3-(6-methylindazol-1-yl)propan-1-one
CID 75767368
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110259297
1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403974
(3S)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
CID 100815681
(3R)-N-cyclopropyl-1-[5-(4-methylphenyl)thiadiazole-4-carbonyl]piperidine-3-carboxamide
CID 100815680
1-butanoyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 60526922
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634
N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
CID 49352294
5-[(3R)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890519

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide (CID 100815599) is (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide is Cc1ccc2c(cnn2CCC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)c1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is DXBZPDLARHILQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-4-7-18-16(11-14)12-21-24(18)10-8-19(25)23-9-2-3-15(13-23)20(26)22-17-5-6-17/h4,7,11-12,15,17H,2-3,5-6,8-10,13H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[3-(5-methylindazol-1-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 100815599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).