2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide

C22H31N3O — CID 166370315

IUPAC2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide
SMILESCCC(C)C(=O)NCCC1CCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C22H31N3O/c1-3-17(2)22(26)24-12-8-18-9-13-25(14-10-18)16-19-6-7-21-20(15-19)5-4-11-23-21/h4-7,11,15,17-18H,3,8-10,12-14,16H2,1-2H3,(H,24,26)
InChIKeyWPMMGVZEUGVRKG-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.00
Rot. Bonds7

About 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide

2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide (PubChem CID 166370315) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide
PubChem CID166370315
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide
SMILESCCC(C)C(=O)NCCC1CCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C22H31N3O/c1-3-17(2)22(26)24-12-8-18-9-13-25(14-10-18)16-19-6-7-21-20(15-19)5-4-11-23-21/h4-7,11,15,17-18H,3,8-10,12-14,16H2,1-2H3,(H,24,26)
InChIKeyWPMMGVZEUGVRKG-UHFFFAOYSA-N
XLogP4.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
CID 136519572
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
3-ethyl-N-methyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 114507998
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251614

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide (CID 166370315) is 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide is CCC(C)C(=O)NCCC1CCN(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide?
The InChIKey is WPMMGVZEUGVRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-3-17(2)22(26)24-12-8-18-9-13-25(14-10-18)16-19-6-7-21-20(15-19)5-4-11-23-21/h4-7,11,15,17-18H,3,8-10,12-14,16H2,1-2H3,(H,24,26).
What are the key properties of 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide?
2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide has a molecular weight of 353.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide is sourced from PubChem (CID 166370315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).