N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide

C16H32N2O — CID 124674767

IUPACN-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C[C@H](CC(C)C)C1CCNCC1
InChIInChI=1S/C16H32N2O/c1-12(2)10-15(14-6-8-17-9-7-14)11-16(4,5)18-13(3)19/h12,14-15,17H,6-11H2,1-5H3,(H,18,19)/t15-/m0/s1
InChIKeyGULCSBOKCUKDPG-HNNXBMFYSA-N
MW268.44 g/mol
LogP2.95
Rot. Bonds6

About N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide

N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide (PubChem CID 124674767) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
PubChem CID124674767
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C[C@H](CC(C)C)C1CCNCC1
InChIInChI=1S/C16H32N2O/c1-12(2)10-15(14-6-8-17-9-7-14)11-16(4,5)18-13(3)19/h12,14-15,17H,6-11H2,1-5H3,(H,18,19)/t15-/m0/s1
InChIKeyGULCSBOKCUKDPG-HNNXBMFYSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4R)-2,6,6-trimethyl-4-piperidin-4-ylheptan-2-yl]acetamide
CID 124636333
4-methyl-2-piperidin-4-ylpentan-1-amine
CID 54593202
tert-butyl 4-(2-acetamido-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate;tert-butyl 4-(1-methoxy-5,5-dimethyl-1-oxohexan-3-yl)piperidine-1-carboxylate;5,5-dimethyl-3-piperidin-4-ylhexanoic acid;methyl 5,5-dimethyl-3-piperidin-4-ylhexanoate
CID 158911510
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294
N-(1-methoxy-2-methylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119760987
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
N-[4-[(1,1-dioxothian-4-yl)amino]-2-methylpentan-2-yl]acetamide
CID 131913138
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
1-piperidin-4-yl-1-(propan-2-ylamino)propan-2-one
CID 177156090
3,4,4-trimethyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 55260130

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
The IUPAC name of N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide (CID 124674767) is N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide.
What is the SMILES notation for N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
The canonical SMILES for N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide is CC(=O)NC(C)(C)C[C@H](CC(C)C)C1CCNCC1.
What is the InChIKey of N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
The InChIKey is GULCSBOKCUKDPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)10-15(14-6-8-17-9-7-14)11-16(4,5)18-13(3)19/h12,14-15,17H,6-11H2,1-5H3,(H,18,19)/t15-/m0/s1.
What are the key properties of N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide?
N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide has a molecular weight of 268.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,6-dimethyl-4-piperidin-4-ylheptan-2-yl]acetamide is sourced from PubChem (CID 124674767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).