N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide

C15H25ClN4O — CID 72933065

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C15H25ClN4O/c1-2-19-8-4-13(5-9-19)10-15(21)17-6-3-7-20-12-14(16)11-18-20/h11-13H,2-10H2,1H3,(H,17,21)
InChIKeyCGVMKADZALWMBM-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.16
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 72933065) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID72933065
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C15H25ClN4O/c1-2-19-8-4-13(5-9-19)10-15(21)17-6-3-7-20-12-14(16)11-18-20/h11-13H,2-10H2,1H3,(H,17,21)
InChIKeyCGVMKADZALWMBM-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582153
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
N-methyl-1-(3-pyrazol-1-ylpropanoyl)piperidine-4-carboxamide
CID 53526482
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide
CID 72899748
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 54869296
2-[(4-chloro-1H-pyrazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decane
CID 56746250
1-({1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-4-piperidinyl}methyl)-2-pyrrolidinone
CID 70765822
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 71895115

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide (CID 72933065) is N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)NCCCn2cc(Cl)cn2)CC1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is CGVMKADZALWMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-2-19-8-4-13(5-9-19)10-15(21)17-6-3-7-20-12-14(16)11-18-20/h11-13H,2-10H2,1H3,(H,17,21).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 312.85 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72933065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).