(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide

C18H27ClN4O2 — CID 120801708

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)O1
InChIInChI=1S/C18H27ClN4O2/c19-14-2-1-3-15(12-14)23-10-8-22(9-11-23)7-6-21-18(24)17-5-4-16(13-20)25-17/h1-3,12,16-17H,4-11,13,20H2,(H,21,24)/t16-,17+/m1/s1
InChIKeyBGHBTNWEBOJWFO-SJORKVTESA-N
MW366.89 g/mol
LogP1.08
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide (PubChem CID 120801708) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
PubChem CID120801708
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)O1
InChIInChI=1S/C18H27ClN4O2/c19-14-2-1-3-15(12-14)23-10-8-22(9-11-23)7-6-21-18(24)17-5-4-16(13-20)25-17/h1-3,12,16-17H,4-11,13,20H2,(H,21,24)/t16-,17+/m1/s1
InChIKeyBGHBTNWEBOJWFO-SJORKVTESA-N
XLogP1.08
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 25271329
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]butanamide;trihydrochloride
CID 119903745
(2S,5R)-5-(aminomethyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801194
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 94083611
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
(2S,5R)-5-(aminomethyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798949
4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 4518994
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
(2S,5R)-5-(aminomethyl)-N-[2-(3-chlorophenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794225
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86899023

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide (CID 120801708) is (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is BGHBTNWEBOJWFO-SJORKVTESA-N. The full InChI is InChI=1S/C18H27ClN4O2/c19-14-2-1-3-15(12-14)23-10-8-22(9-11-23)7-6-21-18(24)17-5-4-16(13-20)25-17/h1-3,12,16-17H,4-11,13,20H2,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 1.08, 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-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120801708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).