N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H25N5O2 — CID 120921332

IUPACN-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H25N5O2/c1-12(2)19-13(21)4-8-17-14(22)15(5-9-16-10-6-15)20-11-3-7-18-20/h3,7,11-12,16H,4-6,8-10H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyARKYXPOAJUYWSG-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.01
Rot. Bonds6

About N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120921332) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120921332
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)CCNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H25N5O2/c1-12(2)19-13(21)4-8-17-14(22)15(5-9-16-10-6-15)20-11-3-7-18-20/h3,7,11-12,16H,4-6,8-10H2,1-2H3,(H,17,22)(H,19,21)
InChIKeyARKYXPOAJUYWSG-UHFFFAOYSA-N
XLogP-0.01
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120921332) is N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)NC(=O)CCNC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is ARKYXPOAJUYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12(2)19-13(21)4-8-17-14(22)15(5-9-16-10-6-15)20-11-3-7-18-20/h3,7,11-12,16H,4-6,8-10H2,1-2H3,(H,17,22)(H,19,21).
What are the key properties of N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120921332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).