(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C20H29N3O2 — CID 124593335

IUPAC(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C20H29N3O2/c24-20(23-14-18-5-2-6-19(18)15-23)21-12-16-3-1-4-17(11-16)13-22-7-9-25-10-8-22/h1,3-4,11,18-19H,2,5-10,12-15H2,(H,21,24)/t18-,19-/m0/s1
InChIKeyHRCPJXVDMQTWKF-OALUTQOASA-N
MW343.47 g/mol
LogP2.46
Rot. Bonds4

About (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 124593335) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID124593335
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C20H29N3O2/c24-20(23-14-18-5-2-6-19(18)15-23)21-12-16-3-1-4-17(11-16)13-22-7-9-25-10-8-22/h1,3-4,11,18-19H,2,5-10,12-15H2,(H,21,24)/t18-,19-/m0/s1
InChIKeyHRCPJXVDMQTWKF-OALUTQOASA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
9-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 136529481
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119847394
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55969887
(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125075199
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
(2S,4S)-2-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633399
4-(morpholine-4-carbonyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 60562062
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 124593335) is (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(NCc1cccc(CN2CCOCC2)c1)N1C[C@@H]2CCC[C@H]2C1.
What is the InChIKey of (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is HRCPJXVDMQTWKF-OALUTQOASA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(23-14-18-5-2-6-19(18)15-23)21-12-16-3-1-4-17(11-16)13-22-7-9-25-10-8-22/h1,3-4,11,18-19H,2,5-10,12-15H2,(H,21,24)/t18-,19-/m0/s1.
What are the key properties of (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 124593335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).