N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide

C21H31N3O2 — CID 120914967

IUPACN-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CNC2CCCC2C2COCCN2)c1)C1CCC1
InChIInChI=1S/C21H31N3O2/c25-21(16-5-2-6-16)24-17-7-1-4-15(12-17)13-23-19-9-3-8-18(19)20-14-26-11-10-22-20/h1,4,7,12,16,18-20,22-23H,2-3,5-6,8-11,13-14H2,(H,24,25)
InChIKeyULZUENPLBPEKSI-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.67
Rot. Bonds6

About N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide

N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 120914967) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID120914967
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CNC2CCCC2C2COCCN2)c1)C1CCC1
InChIInChI=1S/C21H31N3O2/c25-21(16-5-2-6-16)24-17-7-1-4-15(12-17)13-23-19-9-3-8-18(19)20-14-26-11-10-22-20/h1,4,7,12,16,18-20,22-23H,2-3,5-6,8-11,13-14H2,(H,24,25)
InChIKeyULZUENPLBPEKSI-UHFFFAOYSA-N
XLogP2.67
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 120915797
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 120914232
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120916423
N-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyridine-4-carboxamide;hydrochloride
CID 120915330
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915193
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
N-(4-bromophenyl)-2-[(2-morpholin-3-ylcyclopentyl)amino]acetamide
CID 120913805
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide (CID 120914967) is N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(CNC2CCCC2C2COCCN2)c1)C1CCC1.
What is the InChIKey of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is ULZUENPLBPEKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-21(16-5-2-6-16)24-17-7-1-4-15(12-17)13-23-19-9-3-8-18(19)20-14-26-11-10-22-20/h1,4,7,12,16,18-20,22-23H,2-3,5-6,8-11,13-14H2,(H,24,25).
What are the key properties of N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 120914967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).