N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine

C22H29N5 — CID 135234997

IUPACN,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine
SMILESCNc1ccc2c(c1)c(C1CCN(c3ncc(C(C)C)cn3)CC1)cn2C
InChIInChI=1S/C22H29N5/c1-15(2)17-12-24-22(25-13-17)27-9-7-16(8-10-27)20-14-26(4)21-6-5-18(23-3)11-19(20)21/h5-6,11-16,23H,7-10H2,1-4H3
InChIKeyUENQZSXKGJPHAE-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.52
Rot. Bonds4

About N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine

N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine (PubChem CID 135234997) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine
PubChem CID135234997
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC NameN,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine
SMILESCNc1ccc2c(c1)c(C1CCN(c3ncc(C(C)C)cn3)CC1)cn2C
InChIInChI=1S/C22H29N5/c1-15(2)17-12-24-22(25-13-17)27-9-7-16(8-10-27)20-14-26(4)21-6-5-18(23-3)11-19(20)21/h5-6,11-16,23H,7-10H2,1-4H3
InChIKeyUENQZSXKGJPHAE-UHFFFAOYSA-N
XLogP4.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine?
The IUPAC name of N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine (CID 135234997) is N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine.
What is the SMILES notation for N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine?
The canonical SMILES for N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine is CNc1ccc2c(c1)c(C1CCN(c3ncc(C(C)C)cn3)CC1)cn2C.
What is the InChIKey of N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine?
The InChIKey is UENQZSXKGJPHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5/c1-15(2)17-12-24-22(25-13-17)27-9-7-16(8-10-27)20-14-26(4)21-6-5-18(23-3)11-19(20)21/h5-6,11-16,23H,7-10H2,1-4H3.
What are the key properties of N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine?
N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine has a molecular weight of 363.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]indol-5-amine is sourced from PubChem (CID 135234997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).