1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

C13H20ClN5O2 — CID 72893561

IUPAC1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C13H20ClN5O2/c14-11-7-17-19(8-11)6-3-16-12(20)9-18-4-1-10(2-5-18)13(15)21/h7-8,10H,1-6,9H2,(H2,15,21)(H,16,20)
InChIKeyLTDHRCMEJLPJNO-UHFFFAOYSA-N
MW313.79 g/mol
LogP-0.15
Rot. Bonds6

About 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 72893561) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID72893561
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NCCn2cc(Cl)cn2)CC1
InChIInChI=1S/C13H20ClN5O2/c14-11-7-17-19(8-11)6-3-16-12(20)9-18-4-1-10(2-5-18)13(15)21/h7-8,10H,1-6,9H2,(H2,15,21)(H,16,20)
InChIKeyLTDHRCMEJLPJNO-UHFFFAOYSA-N
XLogP-0.15
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 19582153
N-(1-ethylpyrazol-4-yl)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-4-carboxamide
CID 51098380
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 51098382
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-4-carboxamide
CID 51098383
1-[2-(cyclopentylamino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 53574326
N-(1-ethylpyrazol-4-yl)-1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 53602398
1-{1-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56865248
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
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide
CID 72899748
1-(2-(1H-pyrazol-1-yl)acetyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722725
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 54869296

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 72893561) is 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NCCn2cc(Cl)cn2)CC1.
What is the InChIKey of 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is LTDHRCMEJLPJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c14-11-7-17-19(8-11)6-3-16-12(20)9-18-4-1-10(2-5-18)13(15)21/h7-8,10H,1-6,9H2,(H2,15,21)(H,16,20).
What are the key properties of 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 313.79 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72893561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).