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

C19H29N3O2 — CID 120797812

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C19H29N3O2/c20-14-17-6-7-18(24-17)19(23)21-16-9-12-22(13-10-16)11-8-15-4-2-1-3-5-15/h1-5,16-18H,6-14,20H2,(H,21,23)/t17-,18+/m1/s1
InChIKeyDKFJMMRRFJSJCS-MSOLQXFVSA-N
MW331.46 g/mol
LogP1.32
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 120797812) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID120797812
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)O1
InChIInChI=1S/C19H29N3O2/c20-14-17-6-7-18(24-17)19(23)21-16-9-12-22(13-10-16)11-8-15-4-2-1-3-5-15/h1-5,16-18H,6-14,20H2,(H,21,23)/t17-,18+/m1/s1
InChIKeyDKFJMMRRFJSJCS-MSOLQXFVSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxolane-2-carboxamide;dihydrochloride
CID 120797815
(2S,5R)-5-(aminomethyl)-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120801392
(2S,5R)-5-(aminomethyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]oxolane-2-carboxamide;dihydrochloride
CID 120800683
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[3-(benzylsulfonylmethyl)phenyl]oxolane-2-carboxamide
CID 120794006
(2S,5R)-5-(aminomethyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120791757
4-cyclopentyl-N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 136537790
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
(2S)-2-amino-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119844586
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 119844550
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide (CID 120797812) is (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NC2CCN(CCc3ccccc3)CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is DKFJMMRRFJSJCS-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H29N3O2/c20-14-17-6-7-18(24-17)19(23)21-16-9-12-22(13-10-16)11-8-15-4-2-1-3-5-15/h1-5,16-18H,6-14,20H2,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.32, 6 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-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 120797812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).