[5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone

C18H27BrN4O — CID 175631376

IUPAC[5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCNc1cc(Br)cc(C(=O)N2CCCCC2)c1N[C@@H]1CCCNC1
InChIInChI=1S/C18H27BrN4O/c1-20-16-11-13(19)10-15(18(24)23-8-3-2-4-9-23)17(16)22-14-6-5-7-21-12-14/h10-11,14,20-22H,2-9,12H2,1H3/t14-/m1/s1
InChIKeyZCTXOEPAUFHPKV-CQSZACIVSA-N
MW395.35 g/mol
LogP3.28
Rot. Bonds4

About [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone

[5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 175631376) has the molecular formula C18H27BrN4O and a molecular weight of 395.35 g/mol. Its IUPAC name is [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
PubChem CID175631376
Molecular FormulaC18H27BrN4O
Molecular Weight395.35 g/mol
Exact Mass394.14
IUPAC Name[5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCNc1cc(Br)cc(C(=O)N2CCCCC2)c1N[C@@H]1CCCNC1
InChIInChI=1S/C18H27BrN4O/c1-20-16-11-13(19)10-15(18(24)23-8-3-2-4-9-23)17(16)22-14-6-5-7-21-12-14/h10-11,14,20-22H,2-9,12H2,1H3/t14-/m1/s1
InChIKeyZCTXOEPAUFHPKV-CQSZACIVSA-N
XLogP3.28
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
CID 65468689
methyl 3,5-dibromo-2-(pyrrolidin-3-ylamino)benzoate
CID 79731064
5-[(3R)-3-[4-bromo-2-[hydroxy(methyl)amino]-6-(piperidine-1-carbonyl)anilino]piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 175635609
[5-bromo-2-[(4,4-difluoropyrrolidin-3-yl)amino]-3-nitrophenyl]-piperidin-1-ylmethanone
CID 176621597
4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866610
N-[(3S)-piperidin-3-yl]piperidine-1-carboxamide
CID 104982501
[3-amino-2-[[(3R)-1-(1-aminoisoquinoline-4-carbonyl)piperidin-3-yl]amino]-5-bromophenyl]-piperazin-1-ylmethanone
CID 175626551
[5-bromo-2-[[(3R)-1-(4-methylpyridine-3-carbonyl)piperidin-3-yl]amino]-3-nitrophenyl]-piperidin-1-ylmethanone
CID 176621350
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959
N-(5-bromo-2-chlorophenyl)piperidin-3-amine
CID 62913938
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
[(3R)-3-[4-bromo-2-nitro-6-(piperidine-1-carbonyl)anilino]piperidin-1-yl]-(5-chloro-3-pyridinyl)methanone
CID 176621423

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone (CID 175631376) is [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone is CNc1cc(Br)cc(C(=O)N2CCCCC2)c1N[C@@H]1CCCNC1.
What is the InChIKey of [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is ZCTXOEPAUFHPKV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27BrN4O/c1-20-16-11-13(19)10-15(18(24)23-8-3-2-4-9-23)17(16)22-14-6-5-7-21-12-14/h10-11,14,20-22H,2-9,12H2,1H3/t14-/m1/s1.
What are the key properties of [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone?
[5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 395.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(methylamino)-2-[[(3R)-piperidin-3-yl]amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 175631376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).