1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide

C20H25N5OS — CID 139346605

IUPAC1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide
SMILESNCCN1CCC(Nc2cc(C(N)=O)cc3c2Nc2ccccc2S3)CC1
InChIInChI=1S/C20H25N5OS/c21-7-10-25-8-5-14(6-9-25)23-16-11-13(20(22)26)12-18-19(16)24-15-3-1-2-4-17(15)27-18/h1-4,11-12,14,23-24H,5-10,21H2,(H2,22,26)
InChIKeyNRDQLHYSEWFDBD-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.83
Rot. Bonds5

About 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide

1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide (PubChem CID 139346605) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide
PubChem CID139346605
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide
SMILESNCCN1CCC(Nc2cc(C(N)=O)cc3c2Nc2ccccc2S3)CC1
InChIInChI=1S/C20H25N5OS/c21-7-10-25-8-5-14(6-9-25)23-16-11-13(20(22)26)12-18-19(16)24-15-3-1-2-4-17(15)27-18/h1-4,11-12,14,23-24H,5-10,21H2,(H2,22,26)
InChIKeyNRDQLHYSEWFDBD-UHFFFAOYSA-N
XLogP2.83
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide;hydrochloride
CID 139346604
1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carbaldehyde;methanamine
CID 145422295
N-[1-(2-aminoethyl)piperidin-4-yl]-1-(trifluoromethyl)-10H-phenothiazin-3-amine
CID 139346442
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N,7-N-diethyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine;hydrochloride
CID 139346606
1-N-[1-(2-aminoethyl)piperidin-4-yl]-7-N-ethyl-7-N-methyl-3-(trifluoromethyl)-10H-phenothiazine-1,7-diamine
CID 139346547
N-[1-(2-aminoethyl)piperidin-4-yl]-7-(3,5-dimethylpiperidin-1-yl)-3-(trifluoromethyl)-10H-phenothiazin-1-amine;hydrochloride
CID 139346560
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
10H-phenothiazine-3-carboxamide
CID 153418714
N-pyrrolidin-3-yl-3-(trifluoromethyl)-10H-phenothiazin-1-amine
CID 139346514
2-[[1-(2-aminoethyl)piperidin-4-yl]amino]benzonitrile
CID 117027563
4-amino-1-[8-[[1-(2-aminoethyl)piperidin-4-yl]amino]-6-(trifluoromethyl)-9H-thioxanthen-3-yl]butan-1-one;2,2,2-trifluoroacetic acid
CID 160903060
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide?
The IUPAC name of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide (CID 139346605) is 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide.
What is the SMILES notation for 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide?
The canonical SMILES for 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide is NCCN1CCC(Nc2cc(C(N)=O)cc3c2Nc2ccccc2S3)CC1.
What is the InChIKey of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide?
The InChIKey is NRDQLHYSEWFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c21-7-10-25-8-5-14(6-9-25)23-16-11-13(20(22)26)12-18-19(16)24-15-3-1-2-4-17(15)27-18/h1-4,11-12,14,23-24H,5-10,21H2,(H2,22,26).
What are the key properties of 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide?
1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)piperidin-4-yl]amino]-10H-phenothiazine-3-carboxamide is sourced from PubChem (CID 139346605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).