N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

C23H34N4O4 — CID 142428202

IUPACN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H34N4O4/c28-21(17-25-8-5-18-3-1-2-4-20(18)16-25)15-24-23(30)27-9-6-19(7-10-27)22(29)26-11-13-31-14-12-26/h1-4,19,21,28H,5-17H2,(H,24,30)/t21-/m0/s1
InChIKeyJNZWJAHBLBFKGJ-NRFANRHFSA-N
MW430.55 g/mol
LogP0.69
Rot. Bonds5

About N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide

N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide (PubChem CID 142428202) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
PubChem CID142428202
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC NameN-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESO=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C23H34N4O4/c28-21(17-25-8-5-18-3-1-2-4-20(18)16-25)15-24-23(30)27-9-6-19(7-10-27)22(29)26-11-13-31-14-12-26/h1-4,19,21,28H,5-17H2,(H,24,30)/t21-/m0/s1
InChIKeyJNZWJAHBLBFKGJ-NRFANRHFSA-N
XLogP0.69
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

US11485731, Example 1BU
CID 142428207
US11485731, Example 1BF
CID 142428361
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
CID 75306072
US11485731, Example 1AO
CID 142428206
US11485731, Example 1AX
CID 142428223
US11485731, Example 1AN
CID 142428244
US11485731, Example 1AG
CID 142428260
US11485731, Example 1Q
CID 142428268
US11485731, Example 4P
CID 142428288
US11485731, Example 1E
CID 142428301
US11485731, Example 1O
CID 142428302
US11485731, Example 1I
CID 142428303

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide (CID 142428202) is N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide is O=C(NC[C@H](O)CN1CCc2ccccc2C1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The InChIKey is JNZWJAHBLBFKGJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H34N4O4/c28-21(17-25-8-5-18-3-1-2-4-20(18)16-25)15-24-23(30)27-9-6-19(7-10-27)22(29)26-11-13-31-14-12-26/h1-4,19,21,28H,5-17H2,(H,24,30)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide?
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(morpholine-4-carbonyl)piperidine-1-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(morpholine-4-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 142428202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).