trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide

C18H27N3O2 — CID 124700217

IUPACtrans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C18H27N3O2/c19-17-7-3-6-16(17)18(22)20-12-14-4-1-2-5-15(14)13-21-8-10-23-11-9-21/h1-2,4-5,16-17H,3,6-13,19H2,(H,20,22)/t16-,17-/m1/s1
InChIKeyVDPVERRDVGUOCZ-IAGOWNOFSA-N
MW317.43 g/mol
LogP1.26
Rot. Bonds5

About trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide

trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 124700217) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID124700217
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametrans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C18H27N3O2/c19-17-7-3-6-16(17)18(22)20-12-14-4-1-2-5-15(14)13-21-8-10-23-11-9-21/h1-2,4-5,16-17H,3,6-13,19H2,(H,20,22)/t16-,17-/m1/s1
InChIKeyVDPVERRDVGUOCZ-IAGOWNOFSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 125146554
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42947168
2-amino-N-(naphthalen-1-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119709547
(2R)-1-(cyclohexanecarbonyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94167854
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
4-(azepan-1-ylmethyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 55769235
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124700252
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
trans-(1R,2R)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 139576412
3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834747

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 124700217) is trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide is N[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is VDPVERRDVGUOCZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-17-7-3-6-16(17)18(22)20-12-14-4-1-2-5-15(14)13-21-8-10-23-11-9-21/h1-2,4-5,16-17H,3,6-13,19H2,(H,20,22)/t16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124700217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).