N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide

C16H27N5O2 — CID 138997895

IUPACN-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)CCn2cccn2)CC1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)19-15(23)20-10-5-13(6-11-20)18-14(22)7-12-21-9-4-8-17-21/h4,8-9,13H,5-7,10-12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyVLPOCVWPBSIOQD-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.36
Rot. Bonds4

About N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide

N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide (PubChem CID 138997895) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide
PubChem CID138997895
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)CCn2cccn2)CC1
InChIInChI=1S/C16H27N5O2/c1-16(2,3)19-15(23)20-10-5-13(6-11-20)18-14(22)7-12-21-9-4-8-17-21/h4,8-9,13H,5-7,10-12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyVLPOCVWPBSIOQD-UHFFFAOYSA-N
XLogP1.36
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-pyrazol-1-ylpropanamide
CID 60706933
N-tert-butyl-4-(3-pyridin-4-ylpropanoylamino)piperidine-1-carboxamide
CID 146086990
N-tert-butyl-4-[3-(1,5-dimethylpyrazol-4-yl)propanoylamino]piperidine-1-carboxamide
CID 146087712
N-(2-methylpiperidin-4-yl)-3-pyrazol-1-ylpropanamide
CID 106995080
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
N-tert-butyl-4-(ethylamino)piperidine-1-carboxamide
CID 60819470
N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
CID 115870093
N-(2-aminocyclopropyl)-3-pyrazol-1-ylpropanamide
CID 43593652
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42452936
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide (CID 138997895) is N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(NC(=O)CCn2cccn2)CC1.
What is the InChIKey of N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide?
The InChIKey is VLPOCVWPBSIOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-16(2,3)19-15(23)20-10-5-13(6-11-20)18-14(22)7-12-21-9-4-8-17-21/h4,8-9,13H,5-7,10-12H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide?
N-tert-butyl-4-(3-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 1.36, 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-pyrazol-1-ylpropanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 138997895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).