(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

C16H29N3O3 — CID 125150968

IUPAC(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C16H29N3O3/c20-13-10-14(17-11-13)15(21)18-12-16(4-2-1-3-5-16)19-6-8-22-9-7-19/h13-14,17,20H,1-12H2,(H,18,21)/t13-,14-/m0/s1
InChIKeyHDQVXLCNIGKCNS-KBPBESRZSA-N
MW311.43 g/mol
LogP-0.14
Rot. Bonds4

About (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 125150968) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID125150968
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C16H29N3O3/c20-13-10-14(17-11-13)15(21)18-12-16(4-2-1-3-5-16)19-6-8-22-9-7-19/h13-14,17,20H,1-12H2,(H,18,21)/t13-,14-/m0/s1
InChIKeyHDQVXLCNIGKCNS-KBPBESRZSA-N
XLogP-0.14
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119268174
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119268173
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122565189
4-hydroxy-N-[(1-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 103812334
2-(4-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 51330819
4-hydroxy-N-[(1-propylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 119821714
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786154
2-[(1S,2R)-2-hydroxycyclohexyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 122139787
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 20995034

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 125150968) is (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is HDQVXLCNIGKCNS-KBPBESRZSA-N. The full InChI is InChI=1S/C16H29N3O3/c20-13-10-14(17-11-13)15(21)18-12-16(4-2-1-3-5-16)19-6-8-22-9-7-19/h13-14,17,20H,1-12H2,(H,18,21)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of -0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125150968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).