N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine

C28H43N5 — CID 158521775

IUPACN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(C4=CC5=C(CCNC5)C4)c3)CC2)CC1
InChIInChI=1S/C28H43N5/c1-22(2)32-16-14-31(15-17-32)13-10-30-27-7-11-33(12-8-27)28-5-3-4-23(20-28)25-18-24-6-9-29-21-26(24)19-25/h3-5,19-20,22,27,29-30H,6-18,21H2,1-2H3
InChIKeyHMHNABCFJBGTBA-UHFFFAOYSA-N
MW449.69 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine

N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine (PubChem CID 158521775) has the molecular formula C28H43N5 and a molecular weight of 449.69 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine
PubChem CID158521775
Molecular FormulaC28H43N5
Molecular Weight449.69 g/mol
Exact Mass449.35
IUPAC NameN-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(C4=CC5=C(CCNC5)C4)c3)CC2)CC1
InChIInChI=1S/C28H43N5/c1-22(2)32-16-14-31(15-17-32)13-10-30-27-7-11-33(12-8-27)28-5-3-4-23(20-28)25-18-24-6-9-29-21-26(24)19-25/h3-5,19-20,22,27,29-30H,6-18,21H2,1-2H3
InChIKeyHMHNABCFJBGTBA-UHFFFAOYSA-N
XLogP3.35
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.69
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine (CID 158521775) is N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine is CC(C)N1CCN(CCNC2CCN(c3cccc(C4=CC5=C(CCNC5)C4)c3)CC2)CC1.
What is the InChIKey of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine?
The InChIKey is HMHNABCFJBGTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N5/c1-22(2)32-16-14-31(15-17-32)13-10-30-27-7-11-33(12-8-27)28-5-3-4-23(20-28)25-18-24-6-9-29-21-26(24)19-25/h3-5,19-20,22,27,29-30H,6-18,21H2,1-2H3.
What are the key properties of N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine?
N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine has a molecular weight of 449.69 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(2,3,4,5-tetrahydro-1H-cyclopenta[c]pyridin-6-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 158521775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).