N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide

C18H32N4O4 — CID 56715898

IUPACN-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCN1C[C@@H](NC(=O)N2CCOCC2)C[C@H]1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C18H32N4O4/c1-21-12-14(20-17(24)22-7-9-26-10-8-22)11-15(21)16(23)19-13-18(25)5-3-2-4-6-18/h14-15,25H,2-13H2,1H3,(H,19,23)(H,20,24)/t14-,15-/m0/s1
InChIKeyOICQCOSIBBJAPN-GJZGRUSLSA-N
MW368.48 g/mol
LogP-0.09
Rot. Bonds4

About N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide

N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 56715898) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID56715898
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC NameN-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide
SMILESCN1C[C@@H](NC(=O)N2CCOCC2)C[C@H]1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C18H32N4O4/c1-21-12-14(20-17(24)22-7-9-26-10-8-22)11-15(21)16(23)19-13-18(25)5-3-2-4-6-18/h14-15,25H,2-13H2,1H3,(H,19,23)(H,20,24)/t14-,15-/m0/s1
InChIKeyOICQCOSIBBJAPN-GJZGRUSLSA-N
XLogP-0.09
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide (CID 56715898) is N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide is CN1C[C@@H](NC(=O)N2CCOCC2)C[C@H]1C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is OICQCOSIBBJAPN-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-21-12-14(20-17(24)22-7-9-26-10-8-22)11-15(21)16(23)19-13-18(25)5-3-2-4-6-18/h14-15,25H,2-13H2,1H3,(H,19,23)(H,20,24)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide?
N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-[(1-hydroxycyclohexyl)methylcarbamoyl]-1-methylpyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 56715898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).