1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide

C18H27N5O3 — CID 134080643

IUPAC1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)C2CC(c3ccc(O)cc3)NN2)C1
InChIInChI=1S/C18H27N5O3/c19-17(25)13-2-1-8-23(11-13)9-7-20-18(26)16-10-15(21-22-16)12-3-5-14(24)6-4-12/h3-6,13,15-16,21-22,24H,1-2,7-11H2,(H2,19,25)(H,20,26)
InChIKeyVTWMRHGFLRMPGQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.39
Rot. Bonds6

About 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide

1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 134080643) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide
PubChem CID134080643
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCNC(=O)C2CC(c3ccc(O)cc3)NN2)C1
InChIInChI=1S/C18H27N5O3/c19-17(25)13-2-1-8-23(11-13)9-7-20-18(26)16-10-15(21-22-16)12-3-5-14(24)6-4-12/h3-6,13,15-16,21-22,24H,1-2,7-11H2,(H2,19,25)(H,20,26)
InChIKeyVTWMRHGFLRMPGQ-UHFFFAOYSA-N
XLogP-0.39
TPSA119.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolidine-3-carboxamide
CID 134080957
N-(2-morpholin-4-ylethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74653698
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 134125918
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-5-chloro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126427797
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
5-phenyl-N-(3-pyrrol-1-ylpropyl)pyrazolidine-3-carboxamide
CID 75272192
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide (CID 134080643) is 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCNC(=O)C2CC(c3ccc(O)cc3)NN2)C1.
What is the InChIKey of 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is VTWMRHGFLRMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c19-17(25)13-2-1-8-23(11-13)9-7-20-18(26)16-10-15(21-22-16)12-3-5-14(24)6-4-12/h3-6,13,15-16,21-22,24H,1-2,7-11H2,(H2,19,25)(H,20,26).
What are the key properties of 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide?
1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of -0.39, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 134080643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).