N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide

C22H29N5O2 — CID 154866210

IUPACN-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)N2CCNCC2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H29N5O2/c28-21(24-20-7-3-5-18-4-1-2-6-19(18)20)8-11-25-14-16-27(17-15-25)22(29)26-12-9-23-10-13-26/h1-7,23H,8-17H2,(H,24,28)
InChIKeyNQSCTHXSGLRTRC-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.81
Rot. Bonds4

About N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide

N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide (PubChem CID 154866210) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide
PubChem CID154866210
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C(=O)N2CCNCC2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C22H29N5O2/c28-21(24-20-7-3-5-18-4-1-2-6-19(18)20)8-11-25-14-16-27(17-15-25)22(29)26-12-9-23-10-13-26/h1-7,23H,8-17H2,(H,24,28)
InChIKeyNQSCTHXSGLRTRC-UHFFFAOYSA-N
XLogP1.81
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
3-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 30737698
3-[1-[3-(naphthalen-1-ylamino)-3-oxopropyl]piperidin-4-yl]propanoic acid
CID 146107417
3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004
N,N'-dinaphthalen-1-ylbutanediamide
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N-naphthalen-1-yl-3-(3-piperidin-1-ylazetidin-1-yl)propanamide
CID 91830165
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
CID 39284489
3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 61405185
N-(2,3-dichlorophenyl)-3-(4-formylpiperazin-1-yl)propanamide
CID 109018090
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-naphthalen-1-ylpropanamide
CID 24596310

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide (CID 154866210) is N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(C(=O)N2CCNCC2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is NQSCTHXSGLRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(24-20-7-3-5-18-4-1-2-6-19(18)20)8-11-25-14-16-27(17-15-25)22(29)26-12-9-23-10-13-26/h1-7,23H,8-17H2,(H,24,28).
What are the key properties of N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide?
N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 395.51 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 154866210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).