(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide

C20H29N3O3 — CID 120786380

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C20H29N3O3/c1-13-7-9-23(10-8-13)20(25)15-3-5-17(14(2)11-15)22-19(24)18-6-4-16(12-21)26-18/h3,5,11,13,16,18H,4,6-10,12,21H2,1-2H3,(H,22,24)/t16-,18+/m1/s1
InChIKeyJDXBFVNLZKCNKG-AEFFLSMTSA-N
MW359.47 g/mol
LogP2.31
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 120786380) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID120786380
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C20H29N3O3/c1-13-7-9-23(10-8-13)20(25)15-3-5-17(14(2)11-15)22-19(24)18-6-4-16(12-21)26-18/h3,5,11,13,16,18H,4,6-10,12,21H2,1-2H3,(H,22,24)/t16-,18+/m1/s1
InChIKeyJDXBFVNLZKCNKG-AEFFLSMTSA-N
XLogP2.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782775
(2S,5R)-5-(aminomethyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120791757
(2S,5R)-5-(aminomethyl)-N-[4-(morpholine-4-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786426
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
(2S,5R)-5-(aminomethyl)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]oxolane-2-carboxamide
CID 120787020
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-4-bromobenzoic acid
CID 107813397
2-hydroxy-2-methyl-3-[[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077058
(2S,5R)-5-(aminomethyl)-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 120784950
(2S,5R)-5-(aminomethyl)-N-[(1-benzoylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 120794252
(2S,5R)-5-(aminomethyl)-N-(2,4-difluorophenyl)oxolane-2-carboxamide;hydrochloride
CID 120782929
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide (CID 120786380) is (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide is Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is JDXBFVNLZKCNKG-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13-7-9-23(10-8-13)20(25)15-3-5-17(14(2)11-15)22-19(24)18-6-4-16(12-21)26-18/h3,5,11,13,16,18H,4,6-10,12,21H2,1-2H3,(H,22,24)/t16-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120786380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).