N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide

C19H29N3O3 — CID 142428224

IUPACN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H29N3O3/c1-19(25)7-10-22(11-8-19)18(24)20-12-17(23)14-21-9-6-15-4-2-3-5-16(15)13-21/h2-5,17,23,25H,6-14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyGEPRAOKWTGBWSA-KRWDZBQOSA-N
MW347.46 g/mol
LogP0.96
Rot. Bonds4

About N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 142428224) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID142428224
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C19H29N3O3/c1-19(25)7-10-22(11-8-19)18(24)20-12-17(23)14-21-9-6-15-4-2-3-5-16(15)13-21/h2-5,17,23,25H,6-14H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyGEPRAOKWTGBWSA-KRWDZBQOSA-N
XLogP0.96
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide with MolForge

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Related Compounds

1-(Methylamino)-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol
CID 43187900
N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)morpholine-4-carboxamide
CID 121661890
US11485731, Example 1BU
CID 142428207
4-acetyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazin-2-one
CID 76684722
US11485731, Example 1BF
CID 142428361
US11365205, Example 16
CID 139526830
US11365205, Example 20
CID 139527011
US11365205, Example 83
CID 139527211
US11485731, Example 1AY
CID 142428202
US11485731, Example 1AO
CID 142428206
US11485731, Example 1CO
CID 142428214
US11485731, Example 1AX
CID 142428223

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (CID 142428224) is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is CC1(O)CCN(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1.
What is the InChIKey of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is GEPRAOKWTGBWSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(25)7-10-22(11-8-19)18(24)20-12-17(23)14-21-9-6-15-4-2-3-5-16(15)13-21/h2-5,17,23,25H,6-14H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 142428224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).