N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide

C18H31N5O2 — CID 146087712

IUPACN-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide
SMILESCc1c(CCC(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cnn1C
InChIInChI=1S/C18H31N5O2/c1-13-14(12-19-22(13)5)6-7-16(24)20-15-8-10-23(11-9-15)17(25)21-18(2,3)4/h12,15H,6-11H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyKOIOUPPQIMNBEO-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.75
Rot. Bonds4

About N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide

N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide (PubChem CID 146087712) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide
PubChem CID146087712
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide
SMILESCc1c(CCC(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cnn1C
InChIInChI=1S/C18H31N5O2/c1-13-14(12-19-22(13)5)6-7-16(24)20-15-8-10-23(11-9-15)17(25)21-18(2,3)4/h12,15H,6-11H2,1-5H3,(H,20,24)(H,21,25)
InChIKeyKOIOUPPQIMNBEO-UHFFFAOYSA-N
XLogP1.75
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990
N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide
CID 138997895
3-(1,5-dimethylpyrazol-4-yl)-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 124576330
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-3-(1,5-dimethylpyrazol-4-yl)propanamide
CID 124613693
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]-5-(dimethylamino)pyrazine-2-carboxamide
CID 154739087
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide (CID 146087712) is N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide is Cc1c(CCC(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)cnn1C.
What is the InChIKey of N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide?
The InChIKey is KOIOUPPQIMNBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-13-14(12-19-22(13)5)6-7-16(24)20-15-8-10-23(11-9-15)17(25)21-18(2,3)4/h12,15H,6-11H2,1-5H3,(H,20,24)(H,21,25).
What are the key properties of N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide?
N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 146087712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).