[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

C17H26N2O2 — CID 100706518

IUPAC[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCOC[C@H](C)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C17H26N2O2/c1-13(12-21-3)18-16-9-7-15(8-10-16)17(20)19-11-5-4-6-14(19)2/h7-10,13-14,18H,4-6,11-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyNIZPBGHUGKELAJ-KBPBESRZSA-N
MW290.41 g/mol
LogP3.15
Rot. Bonds5

About [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 100706518) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID100706518
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCOC[C@H](C)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1
InChIInChI=1S/C17H26N2O2/c1-13(12-21-3)18-16-9-7-15(8-10-16)17(20)19-11-5-4-6-14(19)2/h7-10,13-14,18H,4-6,11-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyNIZPBGHUGKELAJ-KBPBESRZSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
CID 56684475
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
CID 7298536
1-(4-methoxyphenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 5295353
[4-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 99798871
1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 95312775
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
[(2S)-2-methylpiperidin-1-yl]-[4-[[(3R)-thiolan-3-yl]amino]phenyl]methanone
CID 100706454

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone (CID 100706518) is [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone is COC[C@H](C)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1.
What is the InChIKey of [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is NIZPBGHUGKELAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(12-21-3)18-16-9-7-15(8-10-16)17(20)19-11-5-4-6-14(19)2/h7-10,13-14,18H,4-6,11-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 100706518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).