(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide

C16H31N3O3 — CID 120801392

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCC(C)OCCN1CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C16H31N3O3/c1-12(2)21-10-9-19-7-5-13(6-8-19)18-16(20)15-4-3-14(11-17)22-15/h12-15H,3-11,17H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyLPTVANVCJNNGFL-CABCVRRESA-N
MW313.44 g/mol
LogP0.50
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 120801392) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID120801392
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCC(C)OCCN1CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1
InChIInChI=1S/C16H31N3O3/c1-12(2)21-10-9-19-7-5-13(6-8-19)18-16(20)15-4-3-14(11-17)22-15/h12-15H,3-11,17H2,1-2H3,(H,18,20)/t14-,15+/m1/s1
InChIKeyLPTVANVCJNNGFL-CABCVRRESA-N
XLogP0.50
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propanamide
CID 119898215
(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120797812
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 129490273
(2S,5R)-5-(aminomethyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxolane-2-carboxamide;dihydrochloride
CID 120797815
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
2-(cyclopropylmethylamino)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]acetamide
CID 119898185
(2R,3S)-2-methyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 120942686
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methanamine
CID 61485123
(2S,5R)-5-(aminomethyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801194
(2S,5R)-5-(aminomethyl)-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]oxolane-2-carboxamide;hydrochloride
CID 120791401

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide (CID 120801392) is (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide is CC(C)OCCN1CCC(NC(=O)[C@@H]2CC[C@H](CN)O2)CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is LPTVANVCJNNGFL-CABCVRRESA-N. The full InChI is InChI=1S/C16H31N3O3/c1-12(2)21-10-9-19-7-5-13(6-8-19)18-16(20)15-4-3-14(11-17)22-15/h12-15H,3-11,17H2,1-2H3,(H,18,20)/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120801392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).