4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide

C21H31N3O4 — CID 166285101

IUPAC4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCC1CC(OCc2ccccc2)C1)N1CCN([C@@H]2COC[C@H]2O)CC1
InChIInChI=1S/C21H31N3O4/c25-20-15-27-14-19(20)23-6-8-24(9-7-23)21(26)22-12-17-10-18(11-17)28-13-16-4-2-1-3-5-16/h1-5,17-20,25H,6-15H2,(H,22,26)/t17?,18?,19-,20-/m1/s1
InChIKeyLXTNNUBTJYFHJH-NTFDOXNWSA-N
MW389.50 g/mol
LogP1.07
Rot. Bonds6

About 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide

4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide (PubChem CID 166285101) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide
PubChem CID166285101
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCC1CC(OCc2ccccc2)C1)N1CCN([C@@H]2COC[C@H]2O)CC1
InChIInChI=1S/C21H31N3O4/c25-20-15-27-14-19(20)23-6-8-24(9-7-23)21(26)22-12-17-10-18(11-17)28-13-16-4-2-1-3-5-16/h1-5,17-20,25H,6-15H2,(H,22,26)/t17?,18?,19-,20-/m1/s1
InChIKeyLXTNNUBTJYFHJH-NTFDOXNWSA-N
XLogP1.07
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
(2R)-2-(6-phenylmethoxy-3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)piperazine-1,4-dicarboxylic acid
CID 66582527
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 87003686
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
N-benzyl-4-(oxolan-3-yl)-1,4-diazepane-1-carboxamide
CID 134160951
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
heptanoic acid;(1S,2S,4S)-2-morpholin-4-yl-4-[(4-phenylphenyl)methoxy]cyclopentan-1-ol
CID 70509224

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide (CID 166285101) is 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide is O=C(NCC1CC(OCc2ccccc2)C1)N1CCN([C@@H]2COC[C@H]2O)CC1.
What is the InChIKey of 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide?
The InChIKey is LXTNNUBTJYFHJH-NTFDOXNWSA-N. The full InChI is InChI=1S/C21H31N3O4/c25-20-15-27-14-19(20)23-6-8-24(9-7-23)21(26)22-12-17-10-18(11-17)28-13-16-4-2-1-3-5-16/h1-5,17-20,25H,6-15H2,(H,22,26)/t17?,18?,19-,20-/m1/s1.
What are the key properties of 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide?
4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-[(3-phenylmethoxycyclobutyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 166285101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).