N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide

C13H21N5O2 — CID 86773436

IUPACN-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide
SMILESNC(=O)NC(=O)CCCN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N5O2/c14-13(20)17-12(19)2-1-5-18-6-3-10(4-7-18)11-8-15-16-9-11/h8-10H,1-7H2,(H,15,16)(H3,14,17,19,20)
InChIKeyVCZCUNSDHYSJFE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.56
Rot. Bonds5

About N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide

N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide (PubChem CID 86773436) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide
PubChem CID86773436
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide
SMILESNC(=O)NC(=O)CCCN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C13H21N5O2/c14-13(20)17-12(19)2-1-5-18-6-3-10(4-7-18)11-8-15-16-9-11/h8-10H,1-7H2,(H,15,16)(H3,14,17,19,20)
InChIKeyVCZCUNSDHYSJFE-UHFFFAOYSA-N
XLogP0.56
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide?
The IUPAC name of N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide (CID 86773436) is N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide.
What is the SMILES notation for N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide?
The canonical SMILES for N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide is NC(=O)NC(=O)CCCN1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide?
The InChIKey is VCZCUNSDHYSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-13(20)17-12(19)2-1-5-18-6-3-10(4-7-18)11-8-15-16-9-11/h8-10H,1-7H2,(H,15,16)(H3,14,17,19,20).
What are the key properties of N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide?
N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide has a molecular weight of 279.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]butanamide is sourced from PubChem (CID 86773436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).