1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C22H37N5O2 — CID 45248646

IUPAC1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cn1
InChIInChI=1S/C22H37N5O2/c1-2-27-17-18(14-24-27)16-25-9-7-20(8-10-25)26-11-5-19(6-12-26)22(28)23-15-21-4-3-13-29-21/h14,17,19-21H,2-13,15-16H2,1H3,(H,23,28)
InChIKeyVRGZFQDKCCHISM-UHFFFAOYSA-N
MW403.57 g/mol
LogP1.87
Rot. Bonds7

About 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 45248646) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID45248646
Molecular FormulaC22H37N5O2
Molecular Weight403.57 g/mol
Exact Mass403.29
IUPAC Name1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cn1
InChIInChI=1S/C22H37N5O2/c1-2-27-17-18(14-24-27)16-25-9-7-20(8-10-25)26-11-5-19(6-12-26)22(28)23-15-21-4-3-13-29-21/h14,17,19-21H,2-13,15-16H2,1H3,(H,23,28)
InChIKeyVRGZFQDKCCHISM-UHFFFAOYSA-N
XLogP1.87
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 45248646) is 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is CCn1cc(CN2CCC(N3CCC(C(=O)NCC4CCCO4)CC3)CC2)cn1.
What is the InChIKey of 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is VRGZFQDKCCHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-2-27-17-18(14-24-27)16-25-9-7-20(8-10-25)26-11-5-19(6-12-26)22(28)23-15-21-4-3-13-29-21/h14,17,19-21H,2-13,15-16H2,1H3,(H,23,28).
What are the key properties of 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45248646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).