(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide

C20H30N4O3 — CID 120799124

IUPAC(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C20H30N4O3/c1-14-5-6-15(22-20(26)18-8-7-16(12-21)27-18)11-17(14)23-19(25)13-24-9-3-2-4-10-24/h5-6,11,16,18H,2-4,7-10,12-13,21H2,1H3,(H,22,26)(H,23,25)/t16-,18+/m1/s1
InChIKeyXBGRYUQLQIPOCY-AEFFLSMTSA-N
MW374.49 g/mol
LogP1.86
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide (PubChem CID 120799124) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide
PubChem CID120799124
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C20H30N4O3/c1-14-5-6-15(22-20(26)18-8-7-16(12-21)27-18)11-17(14)23-19(25)13-24-9-3-2-4-10-24/h5-6,11,16,18H,2-4,7-10,12-13,21H2,1H3,(H,22,26)(H,23,25)/t16-,18+/m1/s1
InChIKeyXBGRYUQLQIPOCY-AEFFLSMTSA-N
XLogP1.86
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-(cyclopropylmethylamino)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865177
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-[3-(benzenesulfonamido)-4-methylphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786315
4-amino-3-methoxy-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120596003
2-[(1R)-cyclopent-2-en-1-yl]-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 52511276
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]pentanamide
CID 119865203
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide (CID 120799124) is (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC[C@H](CN)O2)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide?
The InChIKey is XBGRYUQLQIPOCY-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-5-6-15(22-20(26)18-8-7-16(12-21)27-18)11-17(14)23-19(25)13-24-9-3-2-4-10-24/h5-6,11,16,18H,2-4,7-10,12-13,21H2,1H3,(H,22,26)(H,23,25)/t16-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 120799124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).