1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide

C18H29N5O2 — CID 56802669

IUPAC1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C18H29N5O2/c1-14(18(25)21-9-4-6-15(12-21)17(19)24)23-11-3-2-7-16(23)13-22-10-5-8-20-22/h5,8,10,14-16H,2-4,6-7,9,11-13H2,1H3,(H2,19,24)
InChIKeyXRRHKODIUDSXCZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.85
Rot. Bonds5

About 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide

1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 56802669) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
PubChem CID56802669
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)N1CCCCC1Cn1cccn1
InChIInChI=1S/C18H29N5O2/c1-14(18(25)21-9-4-6-15(12-21)17(19)24)23-11-3-2-7-16(23)13-22-10-5-8-20-22/h5,8,10,14-16H,2-4,6-7,9,11-13H2,1H3,(H2,19,24)
InChIKeyXRRHKODIUDSXCZ-UHFFFAOYSA-N
XLogP0.85
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 129446576
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 63760688
(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129446573
(2R)-2-(4-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 98761671
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323418
(2S)-2-imidazol-1-yl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95354634
1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 56802694
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide (CID 56802669) is 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide is CC(C(=O)N1CCCC(C(N)=O)C1)N1CCCCC1Cn1cccn1.
What is the InChIKey of 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is XRRHKODIUDSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(18(25)21-9-4-6-15(12-21)17(19)24)23-11-3-2-7-16(23)13-22-10-5-8-20-22/h5,8,10,14-16H,2-4,6-7,9,11-13H2,1H3,(H2,19,24).
What are the key properties of 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide?
1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 56802669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).