2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride

C15H28ClN3O2 — CID 119734420

IUPAC2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
SMILESCC(C)C(=O)NC1CCN(C(=O)CC2CCCN2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-11(2)15(20)17-12-5-8-18(9-6-12)14(19)10-13-4-3-7-16-13;/h11-13,16H,3-10H2,1-2H3,(H,17,20);1H
InChIKeyHZSUTZBUKHNXGE-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.31
Rot. Bonds4

About 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride

2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride (PubChem CID 119734420) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
PubChem CID119734420
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC Name2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
SMILESCC(C)C(=O)NC1CCN(C(=O)CC2CCCN2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-11(2)15(20)17-12-5-8-18(9-6-12)14(19)10-13-4-3-7-16-13;/h11-13,16H,3-10H2,1-2H3,(H,17,20);1H
InChIKeyHZSUTZBUKHNXGE-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732750
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751
2-piperidin-2-yl-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43585502
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119876672
2-piperidin-2-yl-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113417562
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride (CID 119734420) is 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride is CC(C)C(=O)NC1CCN(C(=O)CC2CCCN2)CC1.Cl.
What is the InChIKey of 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride?
The InChIKey is HZSUTZBUKHNXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-11(2)15(20)17-12-5-8-18(9-6-12)14(19)10-13-4-3-7-16-13;/h11-13,16H,3-10H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride?
2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 119734420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).