5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride

C25H37Cl2N5O2 — CID 69329693

IUPAC5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N(C)C)CC2)CC1.Cl
InChIInChI=1S/C25H36ClN5O2.ClH/c1-25(29(2)3,28-23(32)22-16-19-15-20(26)5-6-21(19)27-22)24(33)31-13-9-18(10-14-31)17-7-11-30(4)12-8-17;/h5-6,15-18,27H,7-14H2,1-4H3,(H,28,32);1H/t25-;/m0./s1
InChIKeyQFLMQWHPHMCYEM-UQIIZPHYSA-N
MW510.51 g/mol
LogP3.83
Rot. Bonds5

About 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride

5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride (PubChem CID 69329693) has the molecular formula C25H37Cl2N5O2 and a molecular weight of 510.51 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
PubChem CID69329693
Molecular FormulaC25H37Cl2N5O2
Molecular Weight510.51 g/mol
Exact Mass509.23
IUPAC Name5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N(C)C)CC2)CC1.Cl
InChIInChI=1S/C25H36ClN5O2.ClH/c1-25(29(2)3,28-23(32)22-16-19-15-20(26)5-6-21(19)27-22)24(33)31-13-9-18(10-14-31)17-7-11-30(4)12-8-17;/h5-6,15-18,27H,7-14H2,1-4H3,(H,28,32);1H/t25-;/m0./s1
InChIKeyQFLMQWHPHMCYEM-UQIIZPHYSA-N
XLogP3.83
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride (CID 69329693) is 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride is CN1CCC(C2CCN(C(=O)[C@@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N(C)C)CC2)CC1.Cl.
What is the InChIKey of 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is QFLMQWHPHMCYEM-UQIIZPHYSA-N. The full InChI is InChI=1S/C25H36ClN5O2.ClH/c1-25(29(2)3,28-23(32)22-16-19-15-20(26)5-6-21(19)27-22)24(33)31-13-9-18(10-14-31)17-7-11-30(4)12-8-17;/h5-6,15-18,27H,7-14H2,1-4H3,(H,28,32);1H/t25-;/m0./s1.
What are the key properties of 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride?
5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 510.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 69329693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).