[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride

C19H28Cl2N4O2 — CID 172748552

IUPAC[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(NC2CN(C3CCNCC3)C2)cc1Cl)N1CCOCC1
InChIInChI=1S/C19H27ClN4O2.ClH/c20-18-11-14(1-2-17(18)19(25)23-7-9-26-10-8-23)22-15-12-24(13-15)16-3-5-21-6-4-16;/h1-2,11,15-16,21-22H,3-10,12-13H2;1H
InChIKeyKBCSDNIHLXHOSZ-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.08
Rot. Bonds4

About [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride

[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 172748552) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID172748552
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccc(NC2CN(C3CCNCC3)C2)cc1Cl)N1CCOCC1
InChIInChI=1S/C19H27ClN4O2.ClH/c20-18-11-14(1-2-17(18)19(25)23-7-9-26-10-8-23)22-15-12-24(13-15)16-3-5-21-6-4-16;/h1-2,11,15-16,21-22H,3-10,12-13H2;1H
InChIKeyKBCSDNIHLXHOSZ-UHFFFAOYSA-N
XLogP2.08
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride with MolForge

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Related Compounds

tert-butyl 4-[3-[3-chloro-4-(morpholine-4-carbonyl)anilino]azetidin-1-yl]piperidine-1-carboxylate
CID 166030804
2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
(2S)-1-[4-[3-[3-chloro-4-(morpholine-4-carbonyl)anilino]azetidin-1-yl]piperidin-1-yl]-2-(3-chlorophenyl)-2-hydroxypropan-1-one;sulfane
CID 167655209
1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-sulfanylethanone
CID 166085270
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283310
(2S)-1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one;sulfane
CID 167549708
(2S)-1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-(3,5-dichlorophenyl)-2-hydroxypropan-1-one;sulfane
CID 167595369
4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-fluoro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide
CID 166030730
(2S)-1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropan-1-one
CID 166030921
1-[4-[3-[3-chloro-4-(3-methylazetidine-1-carbonyl)anilino]azetidin-1-yl]piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
CID 167695461
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride (CID 172748552) is [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride is Cl.O=C(c1ccc(NC2CN(C3CCNCC3)C2)cc1Cl)N1CCOCC1.
What is the InChIKey of [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is KBCSDNIHLXHOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2.ClH/c20-18-11-14(1-2-17(18)19(25)23-7-9-26-10-8-23)22-15-12-24(13-15)16-3-5-21-6-4-16;/h1-2,11,15-16,21-22H,3-10,12-13H2;1H.
What are the key properties of [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride?
[2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 415.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(1-piperidin-4-ylazetidin-3-yl)amino]phenyl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 172748552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).