2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide

C17H33N3O — CID 95301456

IUPAC2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-15(2)18-17(21)14-20-11-7-8-16(13-20)12-19-9-5-3-4-6-10-19/h15-16H,3-14H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyMPULAUDGUQWCPW-INIZCTEOSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds5

About 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 95301456) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID95301456
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-15(2)18-17(21)14-20-11-7-8-16(13-20)12-19-9-5-3-4-6-10-19/h15-16H,3-14H2,1-2H3,(H,18,21)/t16-/m0/s1
InChIKeyMPULAUDGUQWCPW-INIZCTEOSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 95354060
(3S)-1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 39247341
N-propan-2-yl-2-[(3S)-3-(2-propan-2-yloxyethyl)piperidin-1-yl]acetamide
CID 170372113
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51872410
2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide;2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 142390323
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
N-butan-2-yl-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63849022
N-butan-2-yl-2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]acetamide
CID 63847790
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 95301456) is 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC[C@@H](CN2CCCCCC2)C1.
What is the InChIKey of 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MPULAUDGUQWCPW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H33N3O/c1-15(2)18-17(21)14-20-11-7-8-16(13-20)12-19-9-5-3-4-6-10-19/h15-16H,3-14H2,1-2H3,(H,18,21)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95301456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).