1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane

C20H35N5 — CID 177124106

IUPAC1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
SMILESCC(C)N1CCCN(c2ccc(N3CCN(C(C)C)CC3)nc2)CC1
InChIInChI=1S/C20H35N5/c1-17(2)22-8-5-9-24(13-10-22)19-6-7-20(21-16-19)25-14-11-23(12-15-25)18(3)4/h6-7,16-18H,5,8-15H2,1-4H3
InChIKeyHIRYMRUZGMBFBC-UHFFFAOYSA-N
MW345.54 g/mol
LogP2.53
Rot. Bonds4

About 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane

1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane (PubChem CID 177124106) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane.

Molecular Properties

Compound Name1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
PubChem CID177124106
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
SMILESCC(C)N1CCCN(c2ccc(N3CCN(C(C)C)CC3)nc2)CC1
InChIInChI=1S/C20H35N5/c1-17(2)22-8-5-9-24(13-10-22)19-6-7-20(21-16-19)25-14-11-23(12-15-25)18(3)4/h6-7,16-18H,5,8-15H2,1-4H3
InChIKeyHIRYMRUZGMBFBC-UHFFFAOYSA-N
XLogP2.53
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-di(piperidin-1-yl)pyridine
CID 56695292
methane;2-(4-piperidin-1-ylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 158847619
5-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 79839573
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688
1-[3-(azetidin-1-yl)phenyl]-4-propan-2-ylpiperazine
CID 170687978
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane?
The IUPAC name of 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane (CID 177124106) is 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane.
What is the SMILES notation for 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane?
The canonical SMILES for 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane is CC(C)N1CCCN(c2ccc(N3CCN(C(C)C)CC3)nc2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane?
The InChIKey is HIRYMRUZGMBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5/c1-17(2)22-8-5-9-24(13-10-22)19-6-7-20(21-16-19)25-14-11-23(12-15-25)18(3)4/h6-7,16-18H,5,8-15H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane?
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane has a molecular weight of 345.54 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane is sourced from PubChem (CID 177124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).