1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide

C21H31N3O2 — CID 136522349

IUPAC1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2)c1)C1(N2CCOCC2)CCC1
InChIInChI=1S/C21H31N3O2/c25-20(21(7-4-8-21)24-11-13-26-14-12-24)22-16-18-5-3-6-19(15-18)17-23-9-1-2-10-23/h3,5-6,15H,1-2,4,7-14,16-17H2,(H,22,25)
InChIKeyRMFMWXXWAUVMIK-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.15
Rot. Bonds6

About 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide

1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 136522349) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID136522349
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(NCc1cccc(CN2CCCC2)c1)C1(N2CCOCC2)CCC1
InChIInChI=1S/C21H31N3O2/c25-20(21(7-4-8-21)24-11-13-26-14-12-24)22-16-18-5-3-6-19(15-18)17-23-9-1-2-10-23/h3,5-6,15H,1-2,4,7-14,16-17H2,(H,22,25)
InChIKeyRMFMWXXWAUVMIK-UHFFFAOYSA-N
XLogP2.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
N-[(3-phenoxyphenyl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 118762065
4-methoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119847386
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
CID 126604086
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124593335
2-(4-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119847246
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide (CID 136522349) is 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide is O=C(NCc1cccc(CN2CCCC2)c1)C1(N2CCOCC2)CCC1.
What is the InChIKey of 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is RMFMWXXWAUVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(21(7-4-8-21)24-11-13-26-14-12-24)22-16-18-5-3-6-19(15-18)17-23-9-1-2-10-23/h3,5-6,15H,1-2,4,7-14,16-17H2,(H,22,25).
What are the key properties of 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide?
1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 136522349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).