3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C21H37N5O — CID 45197487

IUPAC3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCn1cc(CN2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)cn1
InChIInChI=1S/C21H37N5O/c1-4-26-17-19(14-22-26)16-25-11-5-6-18(15-25)7-8-21(27)24(3)20-9-12-23(2)13-10-20/h14,17-18,20H,4-13,15-16H2,1-3H3
InChIKeyLBVDGAWOQURWEL-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.45
Rot. Bonds7

About 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 45197487) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID45197487
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCCn1cc(CN2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)cn1
InChIInChI=1S/C21H37N5O/c1-4-26-17-19(14-22-26)16-25-11-5-6-18(15-25)7-8-21(27)24(3)20-9-12-23(2)13-10-20/h14,17-18,20H,4-13,15-16H2,1-3H3
InChIKeyLBVDGAWOQURWEL-UHFFFAOYSA-N
XLogP2.45
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 45197487) is 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CCn1cc(CN2CCCC(CCC(=O)N(C)C3CCN(C)CC3)C2)cn1.
What is the InChIKey of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is LBVDGAWOQURWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-4-26-17-19(14-22-26)16-25-11-5-6-18(15-25)7-8-21(27)24(3)20-9-12-23(2)13-10-20/h14,17-18,20H,4-13,15-16H2,1-3H3.
What are the key properties of 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 375.56 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 45197487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).