N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

C16H33ClN2O3S — CID 119786203

IUPACN-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCN(C(=O)CC(C)C1CCCNC1)C(C)CS(=O)(=O)CC.Cl
InChIInChI=1S/C16H32N2O3S.ClH/c1-5-18(14(4)12-22(20,21)6-2)16(19)10-13(3)15-8-7-9-17-11-15;/h13-15,17H,5-12H2,1-4H3;1H
InChIKeyBOYWXCUSWKGADM-UHFFFAOYSA-N
MW368.97 g/mol
LogP2.11
Rot. Bonds8

About N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride

N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119786203) has the molecular formula C16H33ClN2O3S and a molecular weight of 368.97 g/mol. Its IUPAC name is N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119786203
Molecular FormulaC16H33ClN2O3S
Molecular Weight368.97 g/mol
Exact Mass368.19
IUPAC NameN-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCN(C(=O)CC(C)C1CCCNC1)C(C)CS(=O)(=O)CC.Cl
InChIInChI=1S/C16H32N2O3S.ClH/c1-5-18(14(4)12-22(20,21)6-2)16(19)10-13(3)15-8-7-9-17-11-15;/h13-15,17H,5-12H2,1-4H3;1H
InChIKeyBOYWXCUSWKGADM-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
CID 81044014
N-butan-2-yl-N-butyl-3-piperidin-3-ylbutanamide
CID 81043746
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119786203) is N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is CCN(C(=O)CC(C)C1CCCNC1)C(C)CS(=O)(=O)CC.Cl.
What is the InChIKey of N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BOYWXCUSWKGADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3S.ClH/c1-5-18(14(4)12-22(20,21)6-2)16(19)10-13(3)15-8-7-9-17-11-15;/h13-15,17H,5-12H2,1-4H3;1H.
What are the key properties of N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 368.97 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119786203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).