tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate

C18H37N3O2 — CID 107247379

IUPACtert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
SMILESCCCN1CCCC(C(C)NCC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-7-10-21-11-8-9-16(13-21)15(3)19-12-14(2)20-17(22)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3,(H,20,22)
InChIKeyKARKFAABKLJDTK-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.00
Rot. Bonds7

About tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate

tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate (PubChem CID 107247379) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
PubChem CID107247379
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nametert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
SMILESCCCN1CCCC(C(C)NCC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H37N3O2/c1-7-10-21-11-8-9-16(13-21)15(3)19-12-14(2)20-17(22)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3,(H,20,22)
InChIKeyKARKFAABKLJDTK-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
CID 83982889
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250066
N,2,2-trimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propanamide
CID 106275512
tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
CID 107248541
2,2-dimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propan-1-ol
CID 113293730
N-[2-methyl-1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]methanesulfonamide
CID 63859843
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
CID 97224551
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate
CID 97086168
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
N-[1-(1-propylpiperidin-3-yl)ethyl]pentan-1-amine
CID 43307476

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate (CID 107247379) is tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate is CCCN1CCCC(C(C)NCC(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate?
The InChIKey is KARKFAABKLJDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-7-10-21-11-8-9-16(13-21)15(3)19-12-14(2)20-17(22)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate has a molecular weight of 327.51 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate is sourced from PubChem (CID 107247379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).