tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate

C22H37N3O2 — CID 69313098

IUPACtert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate
SMILESCC(C)C(NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H37N3O2/c1-16(2)20(18-11-13-23-14-12-18)24-15-19(17-9-7-6-8-10-17)25-21(26)27-22(3,4)5/h6-10,16,18-20,23-24H,11-15H2,1-5H3,(H,25,26)/t19-,20?/m0/s1
InChIKeyDUNDSRCXLDMPDN-XJDOXCRVSA-N
MW375.56 g/mol
LogP3.87
Rot. Bonds7

About tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate

tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate (PubChem CID 69313098) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate
PubChem CID69313098
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Nametert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate
SMILESCC(C)C(NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C22H37N3O2/c1-16(2)20(18-11-13-23-14-12-18)24-15-19(17-9-7-6-8-10-17)25-21(26)27-22(3,4)5/h6-10,16,18-20,23-24H,11-15H2,1-5H3,(H,25,26)/t19-,20?/m0/s1
InChIKeyDUNDSRCXLDMPDN-XJDOXCRVSA-N
XLogP3.87
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
CID 103786410
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381
tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
CID 103748481
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
CID 103748482
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
CID 103827885
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
tert-butyl N-[1-phenyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl]carbamate;hydroiodide
CID 111465379
tert-butyl N-[3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1-phenylbutyl]carbamate
CID 68580369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate (CID 69313098) is tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate is CC(C)C(NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)C1CCNCC1.
What is the InChIKey of tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate?
The InChIKey is DUNDSRCXLDMPDN-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-16(2)20(18-11-13-23-14-12-18)24-15-19(17-9-7-6-8-10-17)25-21(26)27-22(3,4)5/h6-10,16,18-20,23-24H,11-15H2,1-5H3,(H,25,26)/t19-,20?/m0/s1.
What are the key properties of tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate?
tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate has a molecular weight of 375.56 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate is sourced from PubChem (CID 69313098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).