N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride

C14H28ClN3O3S — CID 119780859

IUPACN-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
SMILESCCN(C1CCN(C(=O)CNCC2CC2)CC1)S(C)(=O)=O.Cl
InChIInChI=1S/C14H27N3O3S.ClH/c1-3-17(21(2,19)20)13-6-8-16(9-7-13)14(18)11-15-10-12-4-5-12;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyNHPBVRYXGCKFNQ-UHFFFAOYSA-N
MW353.92 g/mol
LogP0.68
Rot. Bonds7

About N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride

N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride (PubChem CID 119780859) has the molecular formula C14H28ClN3O3S and a molecular weight of 353.92 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
PubChem CID119780859
Molecular FormulaC14H28ClN3O3S
Molecular Weight353.92 g/mol
Exact Mass353.15
IUPAC NameN-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
SMILESCCN(C1CCN(C(=O)CNCC2CC2)CC1)S(C)(=O)=O.Cl
InChIInChI=1S/C14H27N3O3S.ClH/c1-3-17(21(2,19)20)13-6-8-16(9-7-13)14(18)11-15-10-12-4-5-12;/h12-13,15H,3-11H2,1-2H3;1H
InChIKeyNHPBVRYXGCKFNQ-UHFFFAOYSA-N
XLogP0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
N-[1-[2-(cyclopropylmethylamino)acetyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 119793534
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]butanamide
CID 60948008
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119821813
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride (CID 119780859) is N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride is CCN(C1CCN(C(=O)CNCC2CC2)CC1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
The InChIKey is NHPBVRYXGCKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S.ClH/c1-3-17(21(2,19)20)13-6-8-16(9-7-13)14(18)11-15-10-12-4-5-12;/h12-13,15H,3-11H2,1-2H3;1H.
What are the key properties of N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride?
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119780859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).