(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

C17H34N6O — CID 175919009

IUPAC(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(CN2CCN(N3CCNCC3)CC2)CC1
InChIInChI=1S/C17H34N6O/c1-15(18)17(24)21-6-2-16(3-7-21)14-20-10-12-23(13-11-20)22-8-4-19-5-9-22/h15-16,19H,2-14,18H2,1H3/t15-/m0/s1
InChIKeyGYENQENHQLEYHX-HNNXBMFYSA-N
MW338.50 g/mol
LogP-0.99
Rot. Bonds4

About (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 175919009) has the molecular formula C17H34N6O and a molecular weight of 338.50 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID175919009
Molecular FormulaC17H34N6O
Molecular Weight338.50 g/mol
Exact Mass338.28
IUPAC Name(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(CN2CCN(N3CCNCC3)CC2)CC1
InChIInChI=1S/C17H34N6O/c1-15(18)17(24)21-6-2-16(3-7-21)14-20-10-12-23(13-11-20)22-8-4-19-5-9-22/h15-16,19H,2-14,18H2,1H3/t15-/m0/s1
InChIKeyGYENQENHQLEYHX-HNNXBMFYSA-N
XLogP-0.99
TPSA68.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119851877
(2R)-2-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119897523
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 82511495
3-amino-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62668546
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
CID 119879448
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one (CID 175919009) is (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(CN2CCN(N3CCNCC3)CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is GYENQENHQLEYHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H34N6O/c1-15(18)17(24)21-6-2-16(3-7-21)14-20-10-12-23(13-11-20)22-8-4-19-5-9-22/h15-16,19H,2-14,18H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 338.50 g/mol, XLogP of -0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[(4-piperazin-1-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 175919009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).