N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide

C9H16N2O — CID 163784013

IUPACN-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide
SMILESC=C1C[C@H](NC(C)=O)C[C@H](C)N1
InChIInChI=1S/C9H16N2O/c1-6-4-9(11-8(3)12)5-7(2)10-6/h7,9-10H,1,4-5H2,2-3H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyMQZIWCXGRZKKQF-CBAPKCEASA-N
MW168.24 g/mol
LogP0.78
Rot. Bonds1

About N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide

N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide (PubChem CID 163784013) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide
PubChem CID163784013
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide
SMILESC=C1C[C@H](NC(C)=O)C[C@H](C)N1
InChIInChI=1S/C9H16N2O/c1-6-4-9(11-8(3)12)5-7(2)10-6/h7,9-10H,1,4-5H2,2-3H3,(H,11,12)/t7-,9-/m0/s1
InChIKeyMQZIWCXGRZKKQF-CBAPKCEASA-N
XLogP0.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-aminoocta-6,7-dienylamino)propyl]acetamide
CID 53873655
N-[3-(1-aminoocta-6,7-dien-4-ylamino)propyl]acetamide
CID 57263767
N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
N-(1-but-2-en-2-ylpiperidin-4-yl)butanamide
CID 91212854
N-[(E)-(2-ethylpiperidin-4-ylidene)methyl]acetamide
CID 91303402
2,2-Dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one
CID 117797849
N-[5-acetamido-6-(methylamino)hept-6-enyl]acetamide
CID 129045676
N-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]acetamide
CID 132264999
5-amino-N-(2-piperidin-2-ylethyl)hex-5-enamide
CID 137427821
1-[4-[[(E)-hex-3-en-3-yl]amino]piperidin-1-yl]ethanone
CID 137538754
N-[6-(prop-1-en-2-ylamino)hexyl]acetamide
CID 141929902
(2S)-2-amino-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558345

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide?
The IUPAC name of N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide (CID 163784013) is N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide?
The canonical SMILES for N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide is C=C1C[C@H](NC(C)=O)C[C@H](C)N1.
What is the InChIKey of N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide?
The InChIKey is MQZIWCXGRZKKQF-CBAPKCEASA-N. The full InChI is InChI=1S/C9H16N2O/c1-6-4-9(11-8(3)12)5-7(2)10-6/h7,9-10H,1,4-5H2,2-3H3,(H,11,12)/t7-,9-/m0/s1.
What are the key properties of N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide?
N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-methyl-6-methylidenepiperidin-4-yl]acetamide is sourced from PubChem (CID 163784013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).