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

C19H30N4O2 — CID 120801620

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CC[C@H](CN)O1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-15(14-21-19(24)18-8-7-17(13-20)25-18)22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3,(H,21,24)/t15?,17-,18+/m1/s1
InChIKeyZYXZDZFWWVBEKQ-KVJCIMDZSA-N
MW346.48 g/mol
LogP0.82
Rot. Bonds6

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

(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide (PubChem CID 120801620) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide
PubChem CID120801620
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide
SMILESCC(CNC(=O)[C@@H]1CC[C@H](CN)O1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N4O2/c1-15(14-21-19(24)18-8-7-17(13-20)25-18)22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3,(H,21,24)/t15?,17-,18+/m1/s1
InChIKeyZYXZDZFWWVBEKQ-KVJCIMDZSA-N
XLogP0.82
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)oxolane-2-carboxamide
CID 120797014
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylpiperidin-1-yl)propyl]oxolane-2-carboxamide;dihydrochloride
CID 120798191
(2S,5R)-5-(aminomethyl)-N-(2-methoxy-2-phenylethyl)oxolane-2-carboxamide;hydrochloride
CID 120785607
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119902120
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 119902086
(2S,5R)-5-(aminomethyl)-N-(2,3-diphenylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120794963
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
CID 119902119
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide (CID 120801620) is (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide is CC(CNC(=O)[C@@H]1CC[C@H](CN)O1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
The InChIKey is ZYXZDZFWWVBEKQ-KVJCIMDZSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(14-21-19(24)18-8-7-17(13-20)25-18)22-9-11-23(12-10-22)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3,(H,21,24)/t15?,17-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 0.82, 6 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-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 120801620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).